SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-7a0d6c10/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -58.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.254321 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.100 local terms energy: -33.602962 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -66.706066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.706066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.706066 (E_RNA) where: Base-Base interactions energy: -30.669 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -36.036922 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -58.299789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.299789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.299789 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -23.246 Base-Backbone interact. energy: -0.038 local terms energy: -32.407846 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -52.067396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067396 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.041 local terms energy: -31.895570 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -56.750675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750675 (E_RNA) where: Base-Base interactions energy: -29.181 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.021 local terms energy: -27.549002 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -58.213010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213010 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -26.895 Base-Backbone interact. energy: 0.069 local terms energy: -28.543442 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -49.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993961 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -31.059290 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -49.469389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469389 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.518817 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -42.361833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361833 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.139 local terms energy: -24.738276 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -39.778212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778212 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.003 local terms energy: -28.452994 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -63.799230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799230 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.000 local terms energy: -35.862925 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -74.234172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.234172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.234172 (E_RNA) where: Base-Base interactions energy: -43.760 where: short stacking energy: -25.417 Base-Backbone interact. energy: 1.864 local terms energy: -32.337905 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -60.999538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.999538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.999538 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.000 local terms energy: -34.573510 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -56.705630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.705630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.705630 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.000 local terms energy: -34.682466 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -48.034895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.034895 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.100 local terms energy: -29.128667 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -56.276096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276096 (E_RNA) where: Base-Base interactions energy: -26.563 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.001 local terms energy: -29.711829 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -40.381938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381938 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.203 local terms energy: -24.901598 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -48.452544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452544 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.571987 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -50.095754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095754 (E_RNA) where: Base-Base interactions energy: -28.068 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.019 local terms energy: -22.008950 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: 3.737 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -40.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259528 (E_RNA) where: Base-Base interactions energy: -18.526 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.149 local terms energy: -21.584918 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -1.956 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -55.951160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.951160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.951160 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.301 local terms energy: -30.532136 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -53.789179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789179 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -22.393 Base-Backbone interact. energy: -0.006 local terms energy: -31.389758 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.877 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -54.642744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.642744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.642744 (E_RNA) where: Base-Base interactions energy: -24.703 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.072 local terms energy: -29.867597 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -50.199958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.199958 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -19.140 Base-Backbone interact. energy: -0.158 local terms energy: -30.902522 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -47.611350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.611350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.611350 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.225 local terms energy: -26.925884 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -47.277307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.277307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.277307 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.097 local terms energy: -30.511445 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -48.548873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548873 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.001 local terms energy: -30.952136 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -52.294135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.294135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.294135 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.021 local terms energy: -29.774339 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -43.853166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.853166 (E_RNA) where: Base-Base interactions energy: -16.369 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.004 local terms energy: -27.479482 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -45.640185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640185 (E_RNA) where: Base-Base interactions energy: -20.380 where: short stacking energy: -20.380 Base-Backbone interact. energy: -0.082 local terms energy: -25.178225 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -2.564 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -62.966928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966928 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -36.038854 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -59.691444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.691444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.691444 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.493 local terms energy: -36.346281 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -58.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.258076 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.001 local terms energy: -33.395281 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -61.858218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.858218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.858218 (E_RNA) where: Base-Base interactions energy: -32.012 where: short stacking energy: -15.299 Base-Backbone interact. energy: -0.004 local terms energy: -29.841866 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -2.326 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: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -54.096167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.096167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.096167 (E_RNA) where: Base-Base interactions energy: -21.803 where: short stacking energy: -20.803 Base-Backbone interact. energy: -0.287 local terms energy: -32.006578 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -47.806617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806617 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.000 local terms energy: -30.612733 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -57.748620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748620 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -19.551 Base-Backbone interact. energy: 0.880 local terms energy: -28.426511 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -46.523113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.523113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.523113 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -16.692 Base-Backbone interact. energy: -0.003 local terms energy: -29.827492 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -47.011532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.011532 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.003 local terms energy: -29.858371 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -39.395845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.395845 (E_RNA) where: Base-Base interactions energy: -14.861 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.011 local terms energy: -24.524306 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -64.191096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.191096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.191096 (E_RNA) where: Base-Base interactions energy: -29.728 where: short stacking energy: -29.153 Base-Backbone interact. energy: -0.000 local terms energy: -34.463150 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -66.258405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.258405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.258405 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.004 local terms energy: -39.203601 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -53.473292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.473292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.473292 (E_RNA) where: Base-Base interactions energy: -22.542 where: short stacking energy: -18.768 Base-Backbone interact. energy: -0.329 local terms energy: -30.601893 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -4.672 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: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -57.679805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.679805 (E_RNA) where: Base-Base interactions energy: -26.429 where: short stacking energy: -15.404 Base-Backbone interact. energy: -0.014 local terms energy: -31.236368 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -56.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860273 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.882066 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -48.317753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.317753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.317753 (E_RNA) where: Base-Base interactions energy: -17.605 where: short stacking energy: -17.605 Base-Backbone interact. energy: -0.002 local terms energy: -30.710982 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.877 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: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -48.288640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.288640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.288640 (E_RNA) where: Base-Base interactions energy: -18.395 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.005 local terms energy: -29.888853 where: bonds (distance) C4'-P energy: -2.571 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -6.874 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: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -46.648243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.648243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.648243 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: 0.929 local terms energy: -28.972091 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -48.022765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.022765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.022765 (E_RNA) where: Base-Base interactions energy: -18.383 where: short stacking energy: -15.207 Base-Backbone interact. energy: -0.005 local terms energy: -29.634170 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -5.214 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: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -43.902599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.902599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.902599 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.084 local terms energy: -29.380116 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -74.732030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.732030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.732030 (E_RNA) where: Base-Base interactions energy: -33.775 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.000 local terms energy: -40.957335 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -11.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -69.146170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.146170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.146170 (E_RNA) where: Base-Base interactions energy: -33.756 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.000 local terms energy: -35.389980 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.683 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -61.075973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075973 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.000 local terms energy: -38.738715 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -62.405761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.405761 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.010 local terms energy: -35.124349 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -52.843407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.843407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.843407 (E_RNA) where: Base-Base interactions energy: -21.786 where: short stacking energy: -20.529 Base-Backbone interact. energy: -0.510 local terms energy: -30.547400 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -57.136275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.136275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.136275 (E_RNA) where: Base-Base interactions energy: -31.422 where: short stacking energy: -17.741 Base-Backbone interact. energy: -0.009 local terms energy: -25.704613 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.722 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.377 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -45.844883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.844883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.844883 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -20.384 Base-Backbone interact. energy: -0.005 local terms energy: -24.339029 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -3.110 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: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -46.537078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537078 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.120 local terms energy: -28.921825 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -45.216371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.216371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.216371 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.090 local terms energy: -26.101885 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.042 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: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -37.838533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.838533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.838533 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.037 local terms energy: -28.109262 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: 0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -58.078066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.078066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.078066 (E_RNA) where: Base-Base interactions energy: -24.681 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.100 local terms energy: -33.297297 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -7.529 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -60.933756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.933756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.933756 (E_RNA) where: Base-Base interactions energy: -23.527 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.006 local terms energy: -37.400299 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.527 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: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -75.270213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270213 (E_RNA) where: Base-Base interactions energy: -44.681 where: short stacking energy: -24.280 Base-Backbone interact. energy: -0.008 local terms energy: -30.581280 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -2.909 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: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -53.697828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.697828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.697828 (E_RNA) where: Base-Base interactions energy: -20.774 where: short stacking energy: -20.774 Base-Backbone interact. energy: -0.055 local terms energy: -32.868676 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -6.115 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: 5, replica: 1 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -52.964529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.964529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.964529 (E_RNA) where: Base-Base interactions energy: -24.526 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.004 local terms energy: -28.434468 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.879 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -53.319012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.319012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.319012 (E_RNA) where: Base-Base interactions energy: -25.361 where: short stacking energy: -25.127 Base-Backbone interact. energy: -0.003 local terms energy: -27.954950 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -1.564 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -48.091841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.091841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.091841 (E_RNA) where: Base-Base interactions energy: -16.282 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.004 local terms energy: -31.805405 where: bonds (distance) C4'-P energy: -7.132 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -6.283 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: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -43.384277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.384277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.384277 (E_RNA) where: Base-Base interactions energy: -15.265 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.018 local terms energy: -28.101353 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -6.420 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: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -41.626057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.626057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.626057 (E_RNA) where: Base-Base interactions energy: -14.041 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.011 local terms energy: -27.574130 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -39.131972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.131972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.131972 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.039 local terms energy: -26.365681 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -66.510629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.510629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.510629 (E_RNA) where: Base-Base interactions energy: -30.376 where: short stacking energy: -22.569 Base-Backbone interact. energy: -0.000 local terms energy: -36.134448 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -4.431 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: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -56.429942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.429942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.429942 (E_RNA) where: Base-Base interactions energy: -20.875 where: short stacking energy: -20.875 Base-Backbone interact. energy: -0.130 local terms energy: -35.425122 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -59.200153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.200153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.200153 (E_RNA) where: Base-Base interactions energy: -24.424 where: short stacking energy: -24.424 Base-Backbone interact. energy: -0.001 local terms energy: -34.775124 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -62.858605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.858605 (E_RNA) where: Base-Base interactions energy: -32.261 where: short stacking energy: -21.493 Base-Backbone interact. energy: 0.088 local terms energy: -30.685517 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -51.879376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.879376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.879376 (E_RNA) where: Base-Base interactions energy: -17.476 where: short stacking energy: -17.476 Base-Backbone interact. energy: -0.069 local terms energy: -34.333818 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.949 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: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -48.444137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.444137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.444137 (E_RNA) where: Base-Base interactions energy: -21.658 where: short stacking energy: -21.658 Base-Backbone interact. energy: 0.478 local terms energy: -27.264127 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.907 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: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -48.989388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.989388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.989388 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -15.634 Base-Backbone interact. energy: -0.019 local terms energy: -31.135293 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.878 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: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -47.676055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.676055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.676055 (E_RNA) where: Base-Base interactions energy: -15.276 where: short stacking energy: -15.276 Base-Backbone interact. energy: -0.001 local terms energy: -32.399390 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -53.317766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.317766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.317766 (E_RNA) where: Base-Base interactions energy: -17.622 where: short stacking energy: -16.954 Base-Backbone interact. energy: -0.664 local terms energy: -35.031614 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -41.782466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.782466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.782466 (E_RNA) where: Base-Base interactions energy: -14.552 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.107 local terms energy: -27.123849 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.129 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -5.050 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: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -76.840297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.840297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.840297 (E_RNA) where: Base-Base interactions energy: -37.451 where: short stacking energy: -27.692 Base-Backbone interact. energy: -0.001 local terms energy: -39.388249 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -9.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -57.797746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.797746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.797746 (E_RNA) where: Base-Base interactions energy: -20.135 where: short stacking energy: -20.135 Base-Backbone interact. energy: -0.068 local terms energy: -37.595151 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -50.886231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.886231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.886231 (E_RNA) where: Base-Base interactions energy: -20.308 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.055 local terms energy: -30.522963 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -5.549 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -49.491235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.491235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.491235 (E_RNA) where: Base-Base interactions energy: -20.505 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.070 local terms energy: -28.916447 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -2.361 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: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -53.829112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.829112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.829112 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.003 local terms energy: -29.985036 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -6.988 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: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -52.739522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.739522 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -15.983 Base-Backbone interact. energy: 3.196 local terms energy: -28.625665 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -3.001 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -49.148358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.148358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.148358 (E_RNA) where: Base-Base interactions energy: -17.537 where: short stacking energy: -17.537 Base-Backbone interact. energy: -0.131 local terms energy: -31.480404 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -49.321402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.321402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.321402 (E_RNA) where: Base-Base interactions energy: -18.984 where: short stacking energy: -18.984 Base-Backbone interact. energy: -0.017 local terms energy: -30.319876 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.169 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: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -50.831940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.831940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.831940 (E_RNA) where: Base-Base interactions energy: -20.854 where: short stacking energy: -20.316 Base-Backbone interact. energy: -0.000 local terms energy: -29.977958 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -8.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -37.135435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.135435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.135435 (E_RNA) where: Base-Base interactions energy: -12.253 where: short stacking energy: -12.253 Base-Backbone interact. energy: -0.009 local terms energy: -24.873847 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -73.199136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.199136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.199136 (E_RNA) where: Base-Base interactions energy: -39.468 where: short stacking energy: -27.071 Base-Backbone interact. energy: -0.078 local terms energy: -33.653205 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -6.338 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: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -64.222720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.222720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.222720 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.000 local terms energy: -34.134868 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -8.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -57.039489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.039489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.039489 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.039 local terms energy: -32.877885 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.966 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: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -48.927280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.927280 (E_RNA) where: Base-Base interactions energy: -18.084 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.228 local terms energy: -30.615549 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.221 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: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -54.023574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.023574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.023574 (E_RNA) where: Base-Base interactions energy: -20.794 where: short stacking energy: -20.794 Base-Backbone interact. energy: -0.000 local terms energy: -33.229845 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -62.295572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.295572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.295572 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -17.486 Base-Backbone interact. energy: -0.001 local terms energy: -28.762494 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -46.255751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.255751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.255751 (E_RNA) where: Base-Base interactions energy: -18.544 where: short stacking energy: -18.544 Base-Backbone interact. energy: -0.217 local terms energy: -27.495460 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -5.456 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: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -44.655821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.655821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.655821 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: 1.457 local terms energy: -30.666575 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -45.736589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.736589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.736589 (E_RNA) where: Base-Base interactions energy: -20.716 where: short stacking energy: -20.716 Base-Backbone interact. energy: -0.004 local terms energy: -25.016605 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -2.508 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: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -43.817252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.817252 (E_RNA) where: Base-Base interactions energy: -19.976 where: short stacking energy: -19.976 Base-Backbone interact. energy: -0.000 local terms energy: -23.841465 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -0.777 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -73.201995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.201995 (E_RNA) where: Base-Base interactions energy: -35.139 where: short stacking energy: -35.139 Base-Backbone interact. energy: -0.000 local terms energy: -38.063322 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -9.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -75.358394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.358394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.358394 (E_RNA) where: Base-Base interactions energy: -39.261 where: short stacking energy: -26.409 Base-Backbone interact. energy: -0.001 local terms energy: -36.095560 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -54.932521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.932521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.932521 (E_RNA) where: Base-Base interactions energy: -21.868 where: short stacking energy: -21.868 Base-Backbone interact. energy: -0.000 local terms energy: -33.063973 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -64.563681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.563681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.563681 (E_RNA) where: Base-Base interactions energy: -33.013 where: short stacking energy: -28.296 Base-Backbone interact. energy: -0.004 local terms energy: -31.546179 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -71.311817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.311817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.311817 (E_RNA) where: Base-Base interactions energy: -41.804 where: short stacking energy: -25.919 Base-Backbone interact. energy: -0.001 local terms energy: -29.506880 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -4.126 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: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -47.735887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.735887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.735887 (E_RNA) where: Base-Base interactions energy: -18.652 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.014 local terms energy: -29.070430 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.279 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: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -48.908711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.908711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.908711 (E_RNA) where: Base-Base interactions energy: -21.587 where: short stacking energy: -21.587 Base-Backbone interact. energy: -0.003 local terms energy: -27.318934 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -47.632221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.632221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.632221 (E_RNA) where: Base-Base interactions energy: -16.394 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.001 local terms energy: -31.236881 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -40.783391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.783391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.783391 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -4.437 Base-Backbone interact. energy: -0.041 local terms energy: -25.346067 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: 3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -45.411802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.411802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.411802 (E_RNA) where: Base-Base interactions energy: -18.802 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.087 local terms energy: -26.523119 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -70.165500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.165500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.165500 (E_RNA) where: Base-Base interactions energy: -31.052 where: short stacking energy: -31.052 Base-Backbone interact. energy: -0.000 local terms energy: -39.113020 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -9.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -58.214189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.214189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.214189 (E_RNA) where: Base-Base interactions energy: -32.116 where: short stacking energy: -19.436 Base-Backbone interact. energy: 0.166 local terms energy: -26.264008 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -65.473816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.473816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.473816 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -21.753 Base-Backbone interact. energy: -0.132 local terms energy: -31.618625 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -2.391 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: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -56.026997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.026997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.026997 (E_RNA) where: Base-Base interactions energy: -22.208 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.010 local terms energy: -33.809592 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -65.880813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.880813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.880813 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.000 local terms energy: -39.212473 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -8.255 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: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -48.709550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.709550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.709550 (E_RNA) where: Base-Base interactions energy: -18.295 where: short stacking energy: -18.295 Base-Backbone interact. energy: 0.169 local terms energy: -30.583634 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -52.188187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.188187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.188187 (E_RNA) where: Base-Base interactions energy: -19.344 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.002 local terms energy: -32.842040 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -6.853 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: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -47.709942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.709942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.709942 (E_RNA) where: Base-Base interactions energy: -16.388 where: short stacking energy: -16.388 Base-Backbone interact. energy: -0.003 local terms energy: -31.319499 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -47.883029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.883029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.883029 (E_RNA) where: Base-Base interactions energy: -18.555 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.079 local terms energy: -29.249439 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -4.217 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: 10, replica: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -46.262587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.262587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.262587 (E_RNA) where: Base-Base interactions energy: -18.881 where: short stacking energy: -8.031 Base-Backbone interact. energy: 0.425 local terms energy: -27.806867 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -65.289530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.289530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.289530 (E_RNA) where: Base-Base interactions energy: -24.686 where: short stacking energy: -24.686 Base-Backbone interact. energy: -0.006 local terms energy: -40.597087 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -62.804117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.804117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.804117 (E_RNA) where: Base-Base interactions energy: -28.142 where: short stacking energy: -28.142 Base-Backbone interact. energy: -0.000 local terms energy: -34.661893 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -50.821568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.821568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.821568 (E_RNA) where: Base-Base interactions energy: -18.112 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.059 local terms energy: -32.650958 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -4.931 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: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -53.409815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.409815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.409815 (E_RNA) where: Base-Base interactions energy: -20.561 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.174 local terms energy: -32.674899 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -6.702 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: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -48.147125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.147125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.147125 (E_RNA) where: Base-Base interactions energy: -16.066 where: short stacking energy: -16.066 Base-Backbone interact. energy: -0.136 local terms energy: -31.944881 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -50.344752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.344752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.344752 (E_RNA) where: Base-Base interactions energy: -21.150 where: short stacking energy: -18.709 Base-Backbone interact. energy: -0.016 local terms energy: -29.178811 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -8.612 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -42.796288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.796288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.796288 (E_RNA) where: Base-Base interactions energy: -14.989 where: short stacking energy: -14.989 Base-Backbone interact. energy: -0.053 local terms energy: -27.753936 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.491 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: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -42.742465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.742465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.742465 (E_RNA) where: Base-Base interactions energy: -15.803 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.001 local terms energy: -26.938945 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -43.898263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.898263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.898263 (E_RNA) where: Base-Base interactions energy: -20.914 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.205 local terms energy: -22.778990 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -5.248 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -47.405206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.405206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.405206 (E_RNA) where: Base-Base interactions energy: -18.654 where: short stacking energy: -18.654 Base-Backbone interact. energy: 0.537 local terms energy: -29.288217 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -62.414279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.414279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.414279 (E_RNA) where: Base-Base interactions energy: -27.746 where: short stacking energy: -27.746 Base-Backbone interact. energy: -0.011 local terms energy: -34.656928 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -6.527 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: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -59.513487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.513487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.513487 (E_RNA) where: Base-Base interactions energy: -29.152 where: short stacking energy: -24.573 Base-Backbone interact. energy: -1.307 local terms energy: -29.054162 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -5.765 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: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -68.273302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.273302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.273302 (E_RNA) where: Base-Base interactions energy: -35.602 where: short stacking energy: -26.087 Base-Backbone interact. energy: -0.014 local terms energy: -32.656810 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -47.754300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.754300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.754300 (E_RNA) where: Base-Base interactions energy: -22.529 where: short stacking energy: -19.215 Base-Backbone interact. energy: -0.123 local terms energy: -25.102009 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -53.408311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.408311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.408311 (E_RNA) where: Base-Base interactions energy: -28.817 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.493 local terms energy: -24.098394 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -1.978 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: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -55.120024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.120024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.120024 (E_RNA) where: Base-Base interactions energy: -25.088 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.015 local terms energy: -30.017301 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -5.356 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: 7, replica: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -43.679100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.679100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.679100 (E_RNA) where: Base-Base interactions energy: -18.189 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.058 local terms energy: -25.432193 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -52.691548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.691548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.691548 (E_RNA) where: Base-Base interactions energy: -29.264 where: short stacking energy: -15.254 Base-Backbone interact. energy: -0.070 local terms energy: -23.357522 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -44.398124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.398124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.398124 (E_RNA) where: Base-Base interactions energy: -15.990 where: short stacking energy: -15.990 Base-Backbone interact. energy: -0.742 local terms energy: -27.666382 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -5.001 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -42.644563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.644563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.644563 (E_RNA) where: Base-Base interactions energy: -16.291 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.095 local terms energy: -26.258845 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -1.008 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -58.490037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.490037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.490037 (E_RNA) where: Base-Base interactions energy: -25.249 where: short stacking energy: -25.249 Base-Backbone interact. energy: -0.002 local terms energy: -33.238749 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -63.140161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.140161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.140161 (E_RNA) where: Base-Base interactions energy: -25.569 where: short stacking energy: -25.569 Base-Backbone interact. energy: -0.000 local terms energy: -37.571355 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -8.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -63.447692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.447692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.447692 (E_RNA) where: Base-Base interactions energy: -29.690 where: short stacking energy: -26.966 Base-Backbone interact. energy: -0.003 local terms energy: -33.754448 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -65.293162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.293162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.293162 (E_RNA) where: Base-Base interactions energy: -28.678 where: short stacking energy: -20.937 Base-Backbone interact. energy: -0.004 local terms energy: -36.610873 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -64.075327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.075327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.075327 (E_RNA) where: Base-Base interactions energy: -24.566 where: short stacking energy: -24.566 Base-Backbone interact. energy: -0.000 local terms energy: -39.509606 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -9.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -61.204131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.204131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.204131 (E_RNA) where: Base-Base interactions energy: -27.382 where: short stacking energy: -27.382 Base-Backbone interact. energy: -0.000 local terms energy: -33.821684 where: bonds (distance) C4'-P energy: -2.969 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -9.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -46.682872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.682872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.682872 (E_RNA) where: Base-Base interactions energy: -17.046 where: short stacking energy: -17.046 Base-Backbone interact. energy: -0.004 local terms energy: -29.632426 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -48.595754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.595754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.595754 (E_RNA) where: Base-Base interactions energy: -20.779 where: short stacking energy: -20.779 Base-Backbone interact. energy: -0.102 local terms energy: -27.714760 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -40.229896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.229896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.229896 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.000 local terms energy: -30.188774 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -5.233 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: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -36.593940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.593940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.593940 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.025 local terms energy: -26.564221 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -60.327755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.327755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.327755 (E_RNA) where: Base-Base interactions energy: -29.312 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.026 local terms energy: -30.989528 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -6.645 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: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -61.678945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.678945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.678945 (E_RNA) where: Base-Base interactions energy: -23.765 where: short stacking energy: -23.765 Base-Backbone interact. energy: -0.000 local terms energy: -37.913693 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -10.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -59.214784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.214784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.214784 (E_RNA) where: Base-Base interactions energy: -23.911 where: short stacking energy: -23.249 Base-Backbone interact. energy: -0.000 local terms energy: -35.304180 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -8.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -60.535621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.535621 (E_RNA) where: Base-Base interactions energy: -27.117 where: short stacking energy: -24.184 Base-Backbone interact. energy: -0.003 local terms energy: -33.416360 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -6.410 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: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -59.079378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.079378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.079378 (E_RNA) where: Base-Base interactions energy: -28.364 where: short stacking energy: -28.364 Base-Backbone interact. energy: -0.000 local terms energy: -30.715462 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -1.241 tors. eta vs tors. theta energy: -7.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -52.193478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193478 (E_RNA) where: Base-Base interactions energy: -18.569 where: short stacking energy: -18.569 Base-Backbone interact. energy: -0.073 local terms energy: -33.550947 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -6.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -45.693365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.693365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.693365 (E_RNA) where: Base-Base interactions energy: -16.046 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.001 local terms energy: -29.646087 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -42.652928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.652928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.652928 (E_RNA) where: Base-Base interactions energy: -17.657 where: short stacking energy: -12.904 Base-Backbone interact. energy: -0.107 local terms energy: -24.889204 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.208 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -44.485424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.485424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.485424 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.005 local terms energy: -27.565856 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.793 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: 17 Temperature: 1.350000 Total energy: -44.288282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.288282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.288282 (E_RNA) where: Base-Base interactions energy: -13.980 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.015 local terms energy: -30.292806 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -6.676 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: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -58.822210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.822210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.822210 (E_RNA) where: Base-Base interactions energy: -24.043 where: short stacking energy: -19.528 Base-Backbone interact. energy: -0.848 local terms energy: -33.931003 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -6.227 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: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -61.686833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.686833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.686833 (E_RNA) where: Base-Base interactions energy: -28.145 where: short stacking energy: -28.145 Base-Backbone interact. energy: -0.001 local terms energy: -33.540686 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -60.146089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.146089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.146089 (E_RNA) where: Base-Base interactions energy: -34.071 where: short stacking energy: -25.984 Base-Backbone interact. energy: 0.584 local terms energy: -26.659086 where: bonds (distance) C4'-P energy: -6.900 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -2.001 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: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -52.973447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.973447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.973447 (E_RNA) where: Base-Base interactions energy: -21.238 where: short stacking energy: -16.527 Base-Backbone interact. energy: 0.872 local terms energy: -32.607726 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -5.681 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: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -56.580062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.580062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.580062 (E_RNA) where: Base-Base interactions energy: -21.400 where: short stacking energy: -21.400 Base-Backbone interact. energy: -1.201 local terms energy: -33.979782 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -52.681934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.681934 (E_RNA) where: Base-Base interactions energy: -24.637 where: short stacking energy: -18.574 Base-Backbone interact. energy: 0.428 local terms energy: -28.473014 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -6.018 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: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -51.313951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.313951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.313951 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -16.132 Base-Backbone interact. energy: -0.097 local terms energy: -35.084734 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -6.024 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: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -47.294114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.294114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.294114 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -12.906 Base-Backbone interact. energy: -0.001 local terms energy: -33.772825 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -45.666839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.666839 (E_RNA) where: Base-Base interactions energy: -20.223 where: short stacking energy: -20.223 Base-Backbone interact. energy: -0.007 local terms energy: -25.436679 where: bonds (distance) C4'-P energy: -0.351 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -4.925 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: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -40.434743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.434743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.434743 (E_RNA) where: Base-Base interactions energy: -19.769 where: short stacking energy: -12.085 Base-Backbone interact. energy: -0.140 local terms energy: -20.525353 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -2.795 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -72.008930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.008930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.008930 (E_RNA) where: Base-Base interactions energy: -39.571 where: short stacking energy: -25.380 Base-Backbone interact. energy: -0.000 local terms energy: -32.437707 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -49.238003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.238003 (E_RNA) where: Base-Base interactions energy: -21.478 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.224 local terms energy: -27.535749 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -7.670 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: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -71.614209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.614209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.614209 (E_RNA) where: Base-Base interactions energy: -33.078 where: short stacking energy: -32.654 Base-Backbone interact. energy: -0.000 local terms energy: -38.536075 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -9.589 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -50.576526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.576526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.576526 (E_RNA) where: Base-Base interactions energy: -23.125 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.436 local terms energy: -27.014999 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -3.715 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: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -55.745477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.745477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.745477 (E_RNA) where: Base-Base interactions energy: -29.348 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.102 local terms energy: -26.296012 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.723 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: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -59.074709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.074709 (E_RNA) where: Base-Base interactions energy: -23.556 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.067 local terms energy: -35.450828 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -5.708 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: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -55.242768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.242768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.242768 (E_RNA) where: Base-Base interactions energy: -21.045 where: short stacking energy: -21.045 Base-Backbone interact. energy: -0.000 local terms energy: -34.198014 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -52.577805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.577805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.577805 (E_RNA) where: Base-Base interactions energy: -26.326 where: short stacking energy: -26.326 Base-Backbone interact. energy: -0.013 local terms energy: -26.238507 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -40.638927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.638927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.638927 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.001 local terms energy: -21.146095 where: bonds (distance) C4'-P energy: -2.045 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -5.694 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: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -47.749334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.749334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.749334 (E_RNA) where: Base-Base interactions energy: -16.060 where: short stacking energy: -16.060 Base-Backbone interact. energy: -0.049 local terms energy: -31.640886 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -77.800686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.800686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.800686 (E_RNA) where: Base-Base interactions energy: -41.479 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.000 local terms energy: -36.322074 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -69.066140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.066140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.066140 (E_RNA) where: Base-Base interactions energy: -39.528 where: short stacking energy: -21.336 Base-Backbone interact. energy: 0.381 local terms energy: -29.919400 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.152 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: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -63.807071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.807071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.807071 (E_RNA) where: Base-Base interactions energy: -32.570 where: short stacking energy: -22.822 Base-Backbone interact. energy: 0.837 local terms energy: -32.074126 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.868 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -49.337564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.337564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.337564 (E_RNA) where: Base-Base interactions energy: -18.667 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.001 local terms energy: -30.669555 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -54.894774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.894774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.894774 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -16.715 Base-Backbone interact. energy: -0.015 local terms energy: -31.683665 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -52.726752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.726752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.726752 (E_RNA) where: Base-Base interactions energy: -23.087 where: short stacking energy: -19.468 Base-Backbone interact. energy: -0.000 local terms energy: -29.639933 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -51.264104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.264104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.264104 (E_RNA) where: Base-Base interactions energy: -22.711 where: short stacking energy: -22.711 Base-Backbone interact. energy: -0.091 local terms energy: -28.461868 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -2.581 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: 8, replica: 3 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -53.442652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.442652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.442652 (E_RNA) where: Base-Base interactions energy: -24.708 where: short stacking energy: -24.708 Base-Backbone interact. energy: -0.006 local terms energy: -28.729274 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -41.999574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.999574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.999574 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.004 local terms energy: -24.626588 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -6.093 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: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -44.235036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.235036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.235036 (E_RNA) where: Base-Base interactions energy: -18.643 where: short stacking energy: -16.578 Base-Backbone interact. energy: -0.069 local terms energy: -25.523444 where: bonds (distance) C4'-P energy: -5.793 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -6.049 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: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -84.983350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.983350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.983350 (E_RNA) where: Base-Base interactions energy: -47.127 where: short stacking energy: -30.946 Base-Backbone interact. energy: -0.010 local terms energy: -37.846159 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -65.232177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.232177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.232177 (E_RNA) where: Base-Base interactions energy: -29.208 where: short stacking energy: -20.167 Base-Backbone interact. energy: -0.006 local terms energy: -36.018196 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -69.860874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.860874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.860874 (E_RNA) where: Base-Base interactions energy: -41.379 where: short stacking energy: -23.322 Base-Backbone interact. energy: -0.153 local terms energy: -28.328499 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -5.204 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: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -53.776764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.776764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.776764 (E_RNA) where: Base-Base interactions energy: -22.199 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.012 local terms energy: -31.564926 where: bonds (distance) C4'-P energy: -4.774 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -5.615 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: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -54.820756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.820756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.820756 (E_RNA) where: Base-Base interactions energy: -24.921 where: short stacking energy: -24.921 Base-Backbone interact. energy: 0.287 local terms energy: -30.186200 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -2.718 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -45.356086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.356086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.356086 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.997 local terms energy: -34.333711 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -3.029 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: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -45.890700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.890700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.890700 (E_RNA) where: Base-Base interactions energy: -14.231 where: short stacking energy: -14.231 Base-Backbone interact. energy: -0.552 local terms energy: -31.107168 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -5.752 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -49.283677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283677 (E_RNA) where: Base-Base interactions energy: -17.522 where: short stacking energy: -17.522 Base-Backbone interact. energy: -0.000 local terms energy: -31.761276 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -43.003013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.003013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.003013 (E_RNA) where: Base-Base interactions energy: -14.784 where: short stacking energy: -14.504 Base-Backbone interact. energy: -0.039 local terms energy: -28.179815 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.729 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: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -45.014573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014573 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.066 local terms energy: -26.277199 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: 2.171 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: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -83.363188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.363188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.363188 (E_RNA) where: Base-Base interactions energy: -45.955 where: short stacking energy: -26.940 Base-Backbone interact. energy: -0.002 local terms energy: -37.405445 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -59.300326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.300326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.300326 (E_RNA) where: Base-Base interactions energy: -27.068 where: short stacking energy: -27.068 Base-Backbone interact. energy: -0.016 local terms energy: -32.216488 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -57.052284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.052284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.052284 (E_RNA) where: Base-Base interactions energy: -23.411 where: short stacking energy: -23.411 Base-Backbone interact. energy: -0.019 local terms energy: -33.621607 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -5.745 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: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -56.460774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.460774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.460774 (E_RNA) where: Base-Base interactions energy: -31.419 where: short stacking energy: -11.080 Base-Backbone interact. energy: -0.139 local terms energy: -24.902212 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -51.393855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.393855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.393855 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.024 local terms energy: -28.883875 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.698 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: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -49.554639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.554639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.554639 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -16.100 Base-Backbone interact. energy: 0.278 local terms energy: -26.414777 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -3.713 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: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -44.149285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.149285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.149285 (E_RNA) where: Base-Base interactions energy: -14.249 where: short stacking energy: -10.519 Base-Backbone interact. energy: -0.097 local terms energy: -29.803146 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -5.452 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: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -41.418878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.418878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.418878 (E_RNA) where: Base-Base interactions energy: -14.695 where: short stacking energy: -14.695 Base-Backbone interact. energy: -0.022 local terms energy: -26.701573 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -49.455910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.455910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.455910 (E_RNA) where: Base-Base interactions energy: -19.154 where: short stacking energy: -19.154 Base-Backbone interact. energy: -0.001 local terms energy: -30.301425 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -45.122054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.122054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.122054 (E_RNA) where: Base-Base interactions energy: -20.372 where: short stacking energy: -11.152 Base-Backbone interact. energy: -0.072 local terms energy: -24.677205 where: bonds (distance) C4'-P energy: -5.203 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -5.068 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: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -77.599349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.599349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.599349 (E_RNA) where: Base-Base interactions energy: -43.802 where: short stacking energy: -28.022 Base-Backbone interact. energy: -0.001 local terms energy: -33.796411 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.095 flat angles P-C4'-P energy: -4.251 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: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -65.256478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.256478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.256478 (E_RNA) where: Base-Base interactions energy: -28.414 where: short stacking energy: -28.414 Base-Backbone interact. energy: -0.000 local terms energy: -36.842582 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -4.625 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: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -60.225199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.225199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.225199 (E_RNA) where: Base-Base interactions energy: -30.029 where: short stacking energy: -24.114 Base-Backbone interact. energy: -0.000 local terms energy: -30.196470 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.010 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: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -52.587578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.587578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.587578 (E_RNA) where: Base-Base interactions energy: -22.983 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.002 local terms energy: -29.601878 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.275 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -61.143710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.143710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.143710 (E_RNA) where: Base-Base interactions energy: -23.833 where: short stacking energy: -23.833 Base-Backbone interact. energy: -0.000 local terms energy: -37.310717 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -9.726 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: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -61.078156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.078156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.078156 (E_RNA) where: Base-Base interactions energy: -26.798 where: short stacking energy: -26.798 Base-Backbone interact. energy: -0.000 local terms energy: -34.279345 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -45.627746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.627746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.627746 (E_RNA) where: Base-Base interactions energy: -18.027 where: short stacking energy: -18.027 Base-Backbone interact. energy: 0.579 local terms energy: -28.179297 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -5.626 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: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -41.858373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.858373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.858373 (E_RNA) where: Base-Base interactions energy: -13.938 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.000 local terms energy: -27.920630 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.425 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: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -38.016046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016046 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.020 local terms energy: -25.182552 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -50.128991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.128991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.128991 (E_RNA) where: Base-Base interactions energy: -20.974 where: short stacking energy: -17.965 Base-Backbone interact. energy: -0.095 local terms energy: -29.060227 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -1.810 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: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -61.434069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.434069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.434069 (E_RNA) where: Base-Base interactions energy: -26.503 where: short stacking energy: -24.397 Base-Backbone interact. energy: -0.020 local terms energy: -34.911453 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -82.781014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.781014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.781014 (E_RNA) where: Base-Base interactions energy: -48.750 where: short stacking energy: -27.783 Base-Backbone interact. energy: 0.262 local terms energy: -34.293172 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -60.680908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.680908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.680908 (E_RNA) where: Base-Base interactions energy: -27.492 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.000 local terms energy: -33.188908 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -60.649074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.649074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.649074 (E_RNA) where: Base-Base interactions energy: -26.745 where: short stacking energy: -22.712 Base-Backbone interact. energy: -0.096 local terms energy: -33.808228 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -53.549601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.549601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.549601 (E_RNA) where: Base-Base interactions energy: -19.412 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.000 local terms energy: -34.137457 where: bonds (distance) C4'-P energy: -6.391 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -43.506999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.506999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.506999 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -15.468 Base-Backbone interact. energy: -0.006 local terms energy: -26.997072 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: 0.454 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: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -46.749557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749557 (E_RNA) where: Base-Base interactions energy: -21.485 where: short stacking energy: -21.485 Base-Backbone interact. energy: -0.018 local terms energy: -25.245916 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -46.098569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.098569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.098569 (E_RNA) where: Base-Base interactions energy: -15.704 where: short stacking energy: -15.704 Base-Backbone interact. energy: -0.073 local terms energy: -30.321886 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.824 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: 9, replica: 3 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -46.687690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.687690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.687690 (E_RNA) where: Base-Base interactions energy: -15.155 where: short stacking energy: -15.155 Base-Backbone interact. energy: -0.005 local terms energy: -31.527716 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -9.293 flat angles P-C4'-P energy: -4.147 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: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -48.598625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.598625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.598625 (E_RNA) where: Base-Base interactions energy: -21.772 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.014 local terms energy: -26.812198 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -77.457822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.457822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.457822 (E_RNA) where: Base-Base interactions energy: -38.848 where: short stacking energy: -25.525 Base-Backbone interact. energy: -0.001 local terms energy: -38.609174 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -58.081476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.081476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.081476 (E_RNA) where: Base-Base interactions energy: -27.103 where: short stacking energy: -27.103 Base-Backbone interact. energy: -0.000 local terms energy: -30.978555 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.301 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: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -55.350832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.350832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.350832 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -20.873 Base-Backbone interact. energy: -0.227 local terms energy: -30.005522 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -6.283 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: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -63.738678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.738678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.738678 (E_RNA) where: Base-Base interactions energy: -31.579 where: short stacking energy: -20.275 Base-Backbone interact. energy: -0.038 local terms energy: -32.121767 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -63.288742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.288742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.288742 (E_RNA) where: Base-Base interactions energy: -25.091 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.000 local terms energy: -38.197525 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -51.676003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.676003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.676003 (E_RNA) where: Base-Base interactions energy: -23.427 where: short stacking energy: -23.427 Base-Backbone interact. energy: -0.002 local terms energy: -28.247580 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -3.223 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -8.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -54.052879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.052879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.052879 (E_RNA) where: Base-Base interactions energy: -22.420 where: short stacking energy: -10.954 Base-Backbone interact. energy: -0.007 local terms energy: -31.625262 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.466 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: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -45.940094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.940094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.940094 (E_RNA) where: Base-Base interactions energy: -23.699 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.110 local terms energy: -22.131086 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -44.817121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.817121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.817121 (E_RNA) where: Base-Base interactions energy: -24.183 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.003 local terms energy: -20.630736 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -1.949 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -45.701747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.701747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.701747 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.373 Base-Backbone interact. energy: -0.923 local terms energy: -27.854832 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -3.824 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: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -65.988575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.988575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.988575 (E_RNA) where: Base-Base interactions energy: -31.398 where: short stacking energy: -31.398 Base-Backbone interact. energy: -0.002 local terms energy: -34.588991 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -8.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -61.741202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.741202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.741202 (E_RNA) where: Base-Base interactions energy: -24.555 where: short stacking energy: -24.555 Base-Backbone interact. energy: -0.024 local terms energy: -37.162868 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -60.493579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.493579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.493579 (E_RNA) where: Base-Base interactions energy: -23.711 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.002 local terms energy: -36.780360 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -7.071 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -53.952746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.952746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.952746 (E_RNA) where: Base-Base interactions energy: -26.271 where: short stacking energy: -21.401 Base-Backbone interact. energy: -0.101 local terms energy: -27.580623 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.182 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: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -56.261526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.261526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.261526 (E_RNA) where: Base-Base interactions energy: -22.115 where: short stacking energy: -22.115 Base-Backbone interact. energy: -0.018 local terms energy: -34.128327 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -5.931 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: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -52.719440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.719440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.719440 (E_RNA) where: Base-Base interactions energy: -20.703 where: short stacking energy: -20.703 Base-Backbone interact. energy: -0.034 local terms energy: -31.982673 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -51.991616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.991616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.991616 (E_RNA) where: Base-Base interactions energy: -28.984 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.126 local terms energy: -22.882162 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -1.825 flat angles P-C4'-P energy: -4.136 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: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -47.646781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.646781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.646781 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.000 local terms energy: -32.307820 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -6.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -51.334610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.334610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.334610 (E_RNA) where: Base-Base interactions energy: -18.811 where: short stacking energy: -18.811 Base-Backbone interact. energy: -0.000 local terms energy: -32.523128 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -6.446 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: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -39.885007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.885007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.885007 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.050 local terms energy: -25.611493 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -2.341 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -83.128629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.128629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.128629 (E_RNA) where: Base-Base interactions energy: -46.418 where: short stacking energy: -29.321 Base-Backbone interact. energy: -0.002 local terms energy: -36.708419 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -64.285281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.285281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.285281 (E_RNA) where: Base-Base interactions energy: -31.352 where: short stacking energy: -31.352 Base-Backbone interact. energy: -0.000 local terms energy: -32.933317 where: bonds (distance) C4'-P energy: -5.792 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -9.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -56.682516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.682516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.682516 (E_RNA) where: Base-Base interactions energy: -20.656 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.048 local terms energy: -35.978147 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -6.749 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: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -53.423926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.423926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.423926 (E_RNA) where: Base-Base interactions energy: -26.334 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.022 local terms energy: -27.068438 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.536 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: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -56.709174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.709174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.709174 (E_RNA) where: Base-Base interactions energy: -24.955 where: short stacking energy: -20.609 Base-Backbone interact. energy: -0.471 local terms energy: -31.282642 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -48.628529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.628529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.628529 (E_RNA) where: Base-Base interactions energy: -13.801 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.000 local terms energy: -34.827784 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -47.656218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.656218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.656218 (E_RNA) where: Base-Base interactions energy: -18.734 where: short stacking energy: -18.734 Base-Backbone interact. energy: -0.024 local terms energy: -28.898109 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -46.731001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.731001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.731001 (E_RNA) where: Base-Base interactions energy: -18.888 where: short stacking energy: -18.888 Base-Backbone interact. energy: 1.869 local terms energy: -29.711495 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -51.996131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.996131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.996131 (E_RNA) where: Base-Base interactions energy: -27.284 where: short stacking energy: -16.891 Base-Backbone interact. energy: -0.092 local terms energy: -24.619587 where: bonds (distance) C4'-P energy: -4.119 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.972 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: 10, replica: 3 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -43.197646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.197646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.197646 (E_RNA) where: Base-Base interactions energy: -19.401 where: short stacking energy: -19.401 Base-Backbone interact. energy: -0.002 local terms energy: -23.795245 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -83.362248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362248 (E_RNA) where: Base-Base interactions energy: -49.742 where: short stacking energy: -31.358 Base-Backbone interact. energy: -0.012 local terms energy: -33.608176 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -4.068 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -63.901082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.901082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.901082 (E_RNA) where: Base-Base interactions energy: -28.753 where: short stacking energy: -28.753 Base-Backbone interact. energy: -0.000 local terms energy: -35.147483 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -66.915141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.915141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.915141 (E_RNA) where: Base-Base interactions energy: -31.924 where: short stacking energy: -24.683 Base-Backbone interact. energy: -0.000 local terms energy: -34.990689 where: bonds (distance) C4'-P energy: -6.084 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -56.776063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.776063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.776063 (E_RNA) where: Base-Base interactions energy: -19.898 where: short stacking energy: -19.898 Base-Backbone interact. energy: -0.000 local terms energy: -36.877763 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -53.083028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.083028 (E_RNA) where: Base-Base interactions energy: -19.307 where: short stacking energy: -19.307 Base-Backbone interact. energy: -0.005 local terms energy: -33.771578 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -6.192 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: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -48.784220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.784220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.784220 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.001 local terms energy: -27.668220 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -2.507 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: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -49.627041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.627041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.627041 (E_RNA) where: Base-Base interactions energy: -23.863 where: short stacking energy: -15.280 Base-Backbone interact. energy: -0.010 local terms energy: -25.754092 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.764 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -42.790916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.790916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.790916 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.144 local terms energy: -22.130133 where: bonds (distance) C4'-P energy: -5.116 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.988 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: 9, replica: 3 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -39.330197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.330197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.330197 (E_RNA) where: Base-Base interactions energy: -12.414 where: short stacking energy: -12.120 Base-Backbone interact. energy: 0.691 local terms energy: -27.607188 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -37.874413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.874413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.874413 (E_RNA) where: Base-Base interactions energy: -9.749 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.109 local terms energy: -28.016610 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: 0.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -78.892871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.892871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.892871 (E_RNA) where: Base-Base interactions energy: -39.768 where: short stacking energy: -29.503 Base-Backbone interact. energy: -0.002 local terms energy: -39.123013 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -77.864773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.864773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.864773 (E_RNA) where: Base-Base interactions energy: -39.202 where: short stacking energy: -31.285 Base-Backbone interact. energy: -0.001 local terms energy: -38.662285 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -57.499215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.499215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.499215 (E_RNA) where: Base-Base interactions energy: -22.307 where: short stacking energy: -22.307 Base-Backbone interact. energy: -0.003 local terms energy: -35.188951 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -5.672 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: 4, replica: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -55.469799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.469799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.469799 (E_RNA) where: Base-Base interactions energy: -19.299 where: short stacking energy: -19.299 Base-Backbone interact. energy: 0.153 local terms energy: -36.324313 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -53.562689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.562689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.562689 (E_RNA) where: Base-Base interactions energy: -17.803 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.049 local terms energy: -35.711200 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -61.382486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.382486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.382486 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -25.714 Base-Backbone interact. energy: -0.000 local terms energy: -35.668283 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -39.608702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.608702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.608702 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -6.922 Base-Backbone interact. energy: -0.110 local terms energy: -24.044692 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: 0.619 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: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -43.916074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.916074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.916074 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.001 local terms energy: -28.892124 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -54.878600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.878600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.878600 (E_RNA) where: Base-Base interactions energy: -22.055 where: short stacking energy: -19.555 Base-Backbone interact. energy: -0.123 local terms energy: -32.701183 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -6.350 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: 29 Temperature: 1.350000 Total energy: -40.943241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943241 (E_RNA) where: Base-Base interactions energy: -13.494 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.086 local terms energy: -27.363380 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -73.328524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.328524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.328524 (E_RNA) where: Base-Base interactions energy: -38.887 where: short stacking energy: -25.293 Base-Backbone interact. energy: -0.066 local terms energy: -34.375641 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -6.158 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: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -74.809525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.809525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.809525 (E_RNA) where: Base-Base interactions energy: -40.569 where: short stacking energy: -25.316 Base-Backbone interact. energy: -0.002 local terms energy: -34.238891 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -55.394588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.394588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.394588 (E_RNA) where: Base-Base interactions energy: -19.948 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.000 local terms energy: -35.446129 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -67.015346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.015346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.015346 (E_RNA) where: Base-Base interactions energy: -29.758 where: short stacking energy: -29.758 Base-Backbone interact. energy: -0.002 local terms energy: -37.255359 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -56.858791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.858791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.858791 (E_RNA) where: Base-Base interactions energy: -22.495 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.000 local terms energy: -34.363489 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.039 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -5.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -49.060729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.060729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.060729 (E_RNA) where: Base-Base interactions energy: -19.173 where: short stacking energy: -19.173 Base-Backbone interact. energy: -0.104 local terms energy: -29.783529 where: bonds (distance) C4'-P energy: -4.528 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -47.708271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.708271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.708271 (E_RNA) where: Base-Base interactions energy: -18.255 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.327 local terms energy: -29.127004 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -44.344973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.344973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.344973 (E_RNA) where: Base-Base interactions energy: -15.736 where: short stacking energy: -15.736 Base-Backbone interact. energy: 1.376 local terms energy: -29.985285 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -5.814 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: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -42.269483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.269483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.269483 (E_RNA) where: Base-Base interactions energy: -15.255 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.018 local terms energy: -26.996385 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -38.856752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.856752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.856752 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.002 local terms energy: -25.242658 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -5.825 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -3.254 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: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -71.374431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.374431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.374431 (E_RNA) where: Base-Base interactions energy: -39.075 where: short stacking energy: -25.345 Base-Backbone interact. energy: -0.068 local terms energy: -32.231458 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -5.335 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: 31 Temperature: 0.950000 Total energy: -70.452716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.452716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.452716 (E_RNA) where: Base-Base interactions energy: -34.017 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.943 local terms energy: -35.492379 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -5.038 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: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -67.689589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.689589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.689589 (E_RNA) where: Base-Base interactions energy: -32.360 where: short stacking energy: -24.274 Base-Backbone interact. energy: -0.843 local terms energy: -34.487359 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -8.892 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: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -58.021971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.021971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.021971 (E_RNA) where: Base-Base interactions energy: -28.089 where: short stacking energy: -18.153 Base-Backbone interact. energy: -0.384 local terms energy: -29.549376 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.056 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -59.010526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.010526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.010526 (E_RNA) where: Base-Base interactions energy: -25.821 where: short stacking energy: -17.013 Base-Backbone interact. energy: -0.137 local terms energy: -33.051806 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -51.709880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.709880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.709880 (E_RNA) where: Base-Base interactions energy: -23.028 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.095 local terms energy: -28.586198 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -57.338836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.338836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.338836 (E_RNA) where: Base-Base interactions energy: -22.386 where: short stacking energy: -22.386 Base-Backbone interact. energy: -0.007 local terms energy: -34.945935 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -7.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -44.744089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.744089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.744089 (E_RNA) where: Base-Base interactions energy: -11.500 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.066 local terms energy: -33.177360 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -4.026 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: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -42.189604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.189604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.189604 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -15.697 Base-Backbone interact. energy: -0.043 local terms energy: -26.449946 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.087 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: 31 Temperature: 1.350000 Total energy: -41.217896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.217896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.217896 (E_RNA) where: Base-Base interactions energy: -15.249 where: short stacking energy: -15.249 Base-Backbone interact. energy: -0.105 local terms energy: -25.863905 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.705 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: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -67.666225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.666225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.666225 (E_RNA) where: Base-Base interactions energy: -31.629 where: short stacking energy: -25.066 Base-Backbone interact. energy: -0.021 local terms energy: -36.016548 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -6.023 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: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -58.764734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.764734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.764734 (E_RNA) where: Base-Base interactions energy: -26.517 where: short stacking energy: -26.517 Base-Backbone interact. energy: -0.004 local terms energy: -32.243417 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -5.930 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -60.504847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.504847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.504847 (E_RNA) where: Base-Base interactions energy: -24.875 where: short stacking energy: -24.875 Base-Backbone interact. energy: -0.000 local terms energy: -35.629416 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -8.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -66.129426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.129426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.129426 (E_RNA) where: Base-Base interactions energy: -28.480 where: short stacking energy: -25.872 Base-Backbone interact. energy: -0.002 local terms energy: -37.647130 where: bonds (distance) C4'-P energy: -7.169 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -8.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -54.201608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.201608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.201608 (E_RNA) where: Base-Base interactions energy: -27.134 where: short stacking energy: -27.134 Base-Backbone interact. energy: -0.003 local terms energy: -27.064552 where: bonds (distance) C4'-P energy: -5.232 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.632 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: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -49.729650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.729650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.729650 (E_RNA) where: Base-Base interactions energy: -17.877 where: short stacking energy: -17.877 Base-Backbone interact. energy: 0.095 local terms energy: -31.947412 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -41.864343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.864343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.864343 (E_RNA) where: Base-Base interactions energy: -13.166 where: short stacking energy: -13.166 Base-Backbone interact. energy: -0.000 local terms energy: -28.698578 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -5.674 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: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -42.251191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.251191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.251191 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.006 local terms energy: -26.149981 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.867 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: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -48.562058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.562058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.562058 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.005 local terms energy: -31.438357 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -5.246 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: 10, replica: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -37.329025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329025 (E_RNA) where: Base-Base interactions energy: -11.391 where: short stacking energy: -11.391 Base-Backbone interact. energy: -0.066 local terms energy: -25.871662 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -75.332432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.332432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.332432 (E_RNA) where: Base-Base interactions energy: -35.667 where: short stacking energy: -32.478 Base-Backbone interact. energy: -0.188 local terms energy: -39.476954 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -10.980 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: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -57.629773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.629773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.629773 (E_RNA) where: Base-Base interactions energy: -23.828 where: short stacking energy: -23.828 Base-Backbone interact. energy: -0.021 local terms energy: -33.781424 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -5.509 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: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -56.452907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.452907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.452907 (E_RNA) where: Base-Base interactions energy: -24.978 where: short stacking energy: -24.978 Base-Backbone interact. energy: -0.156 local terms energy: -31.318117 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -4.036 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: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -47.811746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811746 (E_RNA) where: Base-Base interactions energy: -21.613 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.099 local terms energy: -26.099181 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -2.715 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: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -54.163242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.163242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.163242 (E_RNA) where: Base-Base interactions energy: -25.328 where: short stacking energy: -24.232 Base-Backbone interact. energy: -0.001 local terms energy: -28.834301 where: bonds (distance) C4'-P energy: -3.461 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -52.147665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.147665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.147665 (E_RNA) where: Base-Base interactions energy: -19.276 where: short stacking energy: -19.276 Base-Backbone interact. energy: -0.003 local terms energy: -32.868242 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -42.698113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.698113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.698113 (E_RNA) where: Base-Base interactions energy: -18.270 where: short stacking energy: -18.270 Base-Backbone interact. energy: -0.042 local terms energy: -24.385943 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -49.618732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.618732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.618732 (E_RNA) where: Base-Base interactions energy: -19.444 where: short stacking energy: -8.341 Base-Backbone interact. energy: -0.087 local terms energy: -30.087257 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -45.915037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.915037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.915037 (E_RNA) where: Base-Base interactions energy: -16.983 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.086 local terms energy: -28.845956 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -0.638 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -44.107070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.107070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.107070 (E_RNA) where: Base-Base interactions energy: -15.556 where: short stacking energy: -14.561 Base-Backbone interact. energy: -0.007 local terms energy: -28.543402 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -70.819711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.819711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.819711 (E_RNA) where: Base-Base interactions energy: -31.018 where: short stacking energy: -22.586 Base-Backbone interact. energy: -0.057 local terms energy: -39.744797 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -7.204 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: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -71.630795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.630795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.630795 (E_RNA) where: Base-Base interactions energy: -31.998 where: short stacking energy: -31.998 Base-Backbone interact. energy: -0.000 local terms energy: -39.632624 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -53.895733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.895733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.895733 (E_RNA) where: Base-Base interactions energy: -22.693 where: short stacking energy: -22.693 Base-Backbone interact. energy: -0.001 local terms energy: -31.201602 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -4.939 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -66.324310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.324310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.324310 (E_RNA) where: Base-Base interactions energy: -41.690 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.193 local terms energy: -24.441501 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.896 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: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -49.149716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149716 (E_RNA) where: Base-Base interactions energy: -18.552 where: short stacking energy: -18.552 Base-Backbone interact. energy: -0.001 local terms energy: -30.596343 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -6.223 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: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -45.523954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.523954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.523954 (E_RNA) where: Base-Base interactions energy: -13.751 where: short stacking energy: -13.751 Base-Backbone interact. energy: -0.014 local terms energy: -31.759034 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.931 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: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -51.976587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.976587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.976587 (E_RNA) where: Base-Base interactions energy: -26.781 where: short stacking energy: -21.098 Base-Backbone interact. energy: -0.338 local terms energy: -24.857524 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: 1.080 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: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -38.076955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.076955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.076955 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.061 local terms energy: -30.043689 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -45.209754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.209754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.209754 (E_RNA) where: Base-Base interactions energy: -18.727 where: short stacking energy: -18.727 Base-Backbone interact. energy: -0.000 local terms energy: -26.482615 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: 0.502 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: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -45.929498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.929498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.929498 (E_RNA) where: Base-Base interactions energy: -20.110 where: short stacking energy: -18.640 Base-Backbone interact. energy: 1.408 local terms energy: -27.227116 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -4.181 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: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -65.008529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.008529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.008529 (E_RNA) where: Base-Base interactions energy: -26.782 where: short stacking energy: -20.451 Base-Backbone interact. energy: -0.003 local terms energy: -38.223700 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -59.752904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.752904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.752904 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -24.863 Base-Backbone interact. energy: -0.000 local terms energy: -34.889341 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.988 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: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -56.265518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.265518 (E_RNA) where: Base-Base interactions energy: -24.314 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.000 local terms energy: -31.950797 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -6.463 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: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -54.618160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.618160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.618160 (E_RNA) where: Base-Base interactions energy: -22.014 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.001 local terms energy: -32.602327 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -4.205 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: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -57.921711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.921711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.921711 (E_RNA) where: Base-Base interactions energy: -32.453 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.098 local terms energy: -25.370998 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.877 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: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -50.219625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.219625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.219625 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.128 Base-Backbone interact. energy: -0.007 local terms energy: -31.859930 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -49.002104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.002104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.002104 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.022 local terms energy: -33.130529 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.797 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -3.659 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: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -53.083090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.083090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.083090 (E_RNA) where: Base-Base interactions energy: -24.930 where: short stacking energy: -24.930 Base-Backbone interact. energy: -0.058 local terms energy: -28.095487 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -43.861144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.861144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.861144 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.067 local terms energy: -28.499613 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -48.251788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.251788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.251788 (E_RNA) where: Base-Base interactions energy: -18.636 where: short stacking energy: -18.636 Base-Backbone interact. energy: -0.029 local terms energy: -29.587292 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -5.849 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: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -73.178988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.178988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.178988 (E_RNA) where: Base-Base interactions energy: -37.575 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.001 local terms energy: -35.602791 where: bonds (distance) C4'-P energy: -3.195 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -9.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -61.492250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.492250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.492250 (E_RNA) where: Base-Base interactions energy: -24.355 where: short stacking energy: -24.355 Base-Backbone interact. energy: -0.045 local terms energy: -37.092537 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -48.095562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.095562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.095562 (E_RNA) where: Base-Base interactions energy: -19.602 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.005 local terms energy: -28.489045 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -68.970563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.970563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.970563 (E_RNA) where: Base-Base interactions energy: -34.999 where: short stacking energy: -20.836 Base-Backbone interact. energy: -0.133 local terms energy: -33.838759 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -55.387030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.387030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.387030 (E_RNA) where: Base-Base interactions energy: -22.300 where: short stacking energy: -19.689 Base-Backbone interact. energy: -0.002 local terms energy: -33.085349 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -5.112 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -48.674445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.674445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.674445 (E_RNA) where: Base-Base interactions energy: -18.378 where: short stacking energy: -18.378 Base-Backbone interact. energy: -0.014 local terms energy: -30.282373 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -52.455596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.455596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.455596 (E_RNA) where: Base-Base interactions energy: -20.071 where: short stacking energy: -17.379 Base-Backbone interact. energy: 0.105 local terms energy: -32.489604 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -40.415940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415940 (E_RNA) where: Base-Base interactions energy: -13.639 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.102 local terms energy: -26.674957 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -5.293 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -40.620202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.620202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.620202 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -12.795 Base-Backbone interact. energy: -0.019 local terms energy: -24.978414 where: bonds (distance) C4'-P energy: -2.446 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.716 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: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -48.031515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.031515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.031515 (E_RNA) where: Base-Base interactions energy: -16.761 where: short stacking energy: -16.761 Base-Backbone interact. energy: -0.002 local terms energy: -31.268862 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -61.651904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.651904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.651904 (E_RNA) where: Base-Base interactions energy: -25.286 where: short stacking energy: -25.286 Base-Backbone interact. energy: -0.000 local terms energy: -36.365626 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -57.616093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.616093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.616093 (E_RNA) where: Base-Base interactions energy: -23.144 where: short stacking energy: -23.144 Base-Backbone interact. energy: -0.055 local terms energy: -34.417552 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -6.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -63.334688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.334688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.334688 (E_RNA) where: Base-Base interactions energy: -26.004 where: short stacking energy: -26.004 Base-Backbone interact. energy: -0.000 local terms energy: -37.330987 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -10.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -59.806451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.806451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.806451 (E_RNA) where: Base-Base interactions energy: -24.506 where: short stacking energy: -17.821 Base-Backbone interact. energy: -0.003 local terms energy: -35.298052 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -3.885 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: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -55.486163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.486163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.486163 (E_RNA) where: Base-Base interactions energy: -27.235 where: short stacking energy: -27.235 Base-Backbone interact. energy: -0.007 local terms energy: -28.244009 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.380 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -50.434385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.434385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.434385 (E_RNA) where: Base-Base interactions energy: -17.861 where: short stacking energy: -17.861 Base-Backbone interact. energy: -0.000 local terms energy: -32.572883 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -53.801696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.801696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.801696 (E_RNA) where: Base-Base interactions energy: -22.097 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.000 local terms energy: -31.704654 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -49.615385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.615385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.615385 (E_RNA) where: Base-Base interactions energy: -23.070 where: short stacking energy: -23.070 Base-Backbone interact. energy: -0.084 local terms energy: -26.461456 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -50.945114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.945114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.945114 (E_RNA) where: Base-Base interactions energy: -18.338 where: short stacking energy: -18.438 Base-Backbone interact. energy: -0.111 local terms energy: -32.495198 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -38.174098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.174098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.174098 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.106 local terms energy: -25.300153 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -5.396 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: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -61.876520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.876520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.876520 (E_RNA) where: Base-Base interactions energy: -24.726 where: short stacking energy: -24.726 Base-Backbone interact. energy: -0.000 local terms energy: -37.149795 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -6.712 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: 38 Temperature: 0.950000 Total energy: -60.076360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.076360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.076360 (E_RNA) where: Base-Base interactions energy: -32.690 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.255 local terms energy: -27.131191 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.874 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: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -62.498976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.498976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.498976 (E_RNA) where: Base-Base interactions energy: -32.953 where: short stacking energy: -14.906 Base-Backbone interact. energy: -0.032 local terms energy: -29.514472 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -64.464973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.464973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.464973 (E_RNA) where: Base-Base interactions energy: -31.468 where: short stacking energy: -23.113 Base-Backbone interact. energy: -0.011 local terms energy: -32.986113 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -6.290 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: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -59.483823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.483823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.483823 (E_RNA) where: Base-Base interactions energy: -31.135 where: short stacking energy: -24.861 Base-Backbone interact. energy: -0.003 local terms energy: -28.345916 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -4.197 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -5.599 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: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -42.446203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446203 (E_RNA) where: Base-Base interactions energy: -13.733 where: short stacking energy: -10.226 Base-Backbone interact. energy: -0.080 local terms energy: -28.633255 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -5.769 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -6.149 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: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -39.047525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047525 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.026 local terms energy: -23.241228 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: 0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -45.806031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.806031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.806031 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.085 local terms energy: -29.310303 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -4.834 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: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -48.242610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.242610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.242610 (E_RNA) where: Base-Base interactions energy: -15.648 where: short stacking energy: -15.648 Base-Backbone interact. energy: -0.063 local terms energy: -32.531192 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -46.893598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.893598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.893598 (E_RNA) where: Base-Base interactions energy: -18.620 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.009 local terms energy: -28.265324 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.601 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -67.790156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.790156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.790156 (E_RNA) where: Base-Base interactions energy: -31.290 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.001 local terms energy: -36.499662 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -63.268893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.268893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.268893 (E_RNA) where: Base-Base interactions energy: -30.709 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.012 local terms energy: -32.548029 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -63.899247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.899247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.899247 (E_RNA) where: Base-Base interactions energy: -28.394 where: short stacking energy: -28.394 Base-Backbone interact. energy: -0.001 local terms energy: -35.504542 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -54.255901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.255901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.255901 (E_RNA) where: Base-Base interactions energy: -23.683 where: short stacking energy: -23.683 Base-Backbone interact. energy: -0.000 local terms energy: -30.572871 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -7.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -50.529069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.529069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.529069 (E_RNA) where: Base-Base interactions energy: -21.747 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.000 local terms energy: -28.782418 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -50.761963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.761963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.761963 (E_RNA) where: Base-Base interactions energy: -20.138 where: short stacking energy: -19.817 Base-Backbone interact. energy: 0.268 local terms energy: -30.891331 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -3.481 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: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -44.015002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.015002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.015002 (E_RNA) where: Base-Base interactions energy: -14.525 where: short stacking energy: -14.147 Base-Backbone interact. energy: -0.078 local terms energy: -29.412306 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -3.432 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -47.405521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.405521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.405521 (E_RNA) where: Base-Base interactions energy: -18.485 where: short stacking energy: -18.485 Base-Backbone interact. energy: -0.020 local terms energy: -28.900559 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -4.244 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: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -41.802731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.802731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.802731 (E_RNA) where: Base-Base interactions energy: -14.830 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.072 local terms energy: -26.900939 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -38.050005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.050005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.050005 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.051 local terms energy: -25.982110 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -5.250 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: 1, replica: 1 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -54.373395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.373395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.373395 (E_RNA) where: Base-Base interactions energy: -23.483 where: short stacking energy: -23.483 Base-Backbone interact. energy: 0.646 local terms energy: -31.536236 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -4.545 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: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -59.353576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.353576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.353576 (E_RNA) where: Base-Base interactions energy: -24.729 where: short stacking energy: -24.729 Base-Backbone interact. energy: -0.000 local terms energy: -34.623810 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -51.955520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.955520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.955520 (E_RNA) where: Base-Base interactions energy: -20.519 where: short stacking energy: -20.519 Base-Backbone interact. energy: -0.000 local terms energy: -31.435724 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -62.987239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.987239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.987239 (E_RNA) where: Base-Base interactions energy: -26.362 where: short stacking energy: -26.362 Base-Backbone interact. energy: -0.001 local terms energy: -36.624505 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -8.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -54.173438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.173438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.173438 (E_RNA) where: Base-Base interactions energy: -21.920 where: short stacking energy: -21.920 Base-Backbone interact. energy: -0.008 local terms energy: -32.245232 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -2.843 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: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -50.459112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.459112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.459112 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: 0.394 local terms energy: -32.112418 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -42.105827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.105827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.105827 (E_RNA) where: Base-Base interactions energy: -15.261 where: short stacking energy: -15.261 Base-Backbone interact. energy: -0.045 local terms energy: -26.799399 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -44.222075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.222075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.222075 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.089 local terms energy: -30.004038 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -8.980 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -0.457 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: 40 Temperature: 1.300000 Total energy: -44.917421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.917421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.917421 (E_RNA) where: Base-Base interactions energy: -17.031 where: short stacking energy: -16.807 Base-Backbone interact. energy: 0.165 local terms energy: -28.052091 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: 0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -48.435398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.435398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.435398 (E_RNA) where: Base-Base interactions energy: -17.018 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.002 local terms energy: -31.414718 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.689 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -57.011310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.011310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.011310 (E_RNA) where: Base-Base interactions energy: -24.456 where: short stacking energy: -23.219 Base-Backbone interact. energy: -0.077 local terms energy: -32.477768 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.980 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: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -58.413479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.413479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.413479 (E_RNA) where: Base-Base interactions energy: -25.270 where: short stacking energy: -25.270 Base-Backbone interact. energy: -0.001 local terms energy: -33.142645 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -6.398 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -59.693554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.693554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.693554 (E_RNA) where: Base-Base interactions energy: -23.871 where: short stacking energy: -23.871 Base-Backbone interact. energy: -0.007 local terms energy: -35.815262 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -7.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -53.543933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.543933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.543933 (E_RNA) where: Base-Base interactions energy: -20.559 where: short stacking energy: -20.355 Base-Backbone interact. energy: -0.034 local terms energy: -32.951533 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -5.899 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: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -53.670722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.670722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.670722 (E_RNA) where: Base-Base interactions energy: -19.442 where: short stacking energy: -19.442 Base-Backbone interact. energy: -0.000 local terms energy: -34.228449 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -5.196 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: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -43.487397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.487397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.487397 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -8.364 Base-Backbone interact. energy: -0.013 local terms energy: -30.700314 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.547 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -58.013886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.013886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.013886 (E_RNA) where: Base-Base interactions energy: -24.569 where: short stacking energy: -23.490 Base-Backbone interact. energy: -0.000 local terms energy: -33.444886 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -46.126703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.126703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.126703 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: -0.000 local terms energy: -31.953742 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -4.274 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: 9, replica: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -43.633766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.633766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.633766 (E_RNA) where: Base-Base interactions energy: -17.956 where: short stacking energy: -15.001 Base-Backbone interact. energy: -0.158 local terms energy: -25.520078 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -43.620033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.620033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.620033 (E_RNA) where: Base-Base interactions energy: -14.240 where: short stacking energy: -14.840 Base-Backbone interact. energy: -0.036 local terms energy: -29.343970 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -0.887 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: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -65.559209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.559209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.559209 (E_RNA) where: Base-Base interactions energy: -29.153 where: short stacking energy: -29.153 Base-Backbone interact. energy: -0.008 local terms energy: -36.398808 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -58.808373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.808373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.808373 (E_RNA) where: Base-Base interactions energy: -23.529 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.007 local terms energy: -35.271913 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.286 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -5.708 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: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -59.772913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.772913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.772913 (E_RNA) where: Base-Base interactions energy: -25.290 where: short stacking energy: -25.290 Base-Backbone interact. energy: -0.033 local terms energy: -34.450467 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -6.363 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: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -56.013383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.013383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.013383 (E_RNA) where: Base-Base interactions energy: -25.089 where: short stacking energy: -25.089 Base-Backbone interact. energy: -0.054 local terms energy: -30.870316 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -56.742581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.742581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.742581 (E_RNA) where: Base-Base interactions energy: -25.655 where: short stacking energy: -25.591 Base-Backbone interact. energy: -0.000 local terms energy: -31.087182 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -45.439179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.439179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.439179 (E_RNA) where: Base-Base interactions energy: -22.592 where: short stacking energy: -6.899 Base-Backbone interact. energy: -0.038 local terms energy: -22.809095 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: 0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -47.246746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.246746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.246746 (E_RNA) where: Base-Base interactions energy: -18.135 where: short stacking energy: -18.135 Base-Backbone interact. energy: -0.001 local terms energy: -29.110414 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -6.427 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: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -46.400322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.400322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.400322 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.000 local terms energy: -30.575124 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -4.378 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -43.808021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.808021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.808021 (E_RNA) where: Base-Base interactions energy: -17.145 where: short stacking energy: -13.135 Base-Backbone interact. energy: -0.003 local terms energy: -26.660299 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -0.915 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: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -42.373885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.373885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.373885 (E_RNA) where: Base-Base interactions energy: -17.115 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.086 local terms energy: -25.172654 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -0.959 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: 1, replica: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -65.178172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.178172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.178172 (E_RNA) where: Base-Base interactions energy: -28.169 where: short stacking energy: -28.169 Base-Backbone interact. energy: -0.001 local terms energy: -37.008645 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -8.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -68.969635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.969635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.969635 (E_RNA) where: Base-Base interactions energy: -33.115 where: short stacking energy: -19.197 Base-Backbone interact. energy: -0.134 local terms energy: -35.721032 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -65.146711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.146711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.146711 (E_RNA) where: Base-Base interactions energy: -36.339 where: short stacking energy: -19.567 Base-Backbone interact. energy: -0.070 local terms energy: -28.738174 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -2.271 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -61.331022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.331022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.331022 (E_RNA) where: Base-Base interactions energy: -24.384 where: short stacking energy: -24.384 Base-Backbone interact. energy: -0.000 local terms energy: -36.947183 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -9.002 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -51.108657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.108657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.108657 (E_RNA) where: Base-Base interactions energy: -18.467 where: short stacking energy: -18.467 Base-Backbone interact. energy: -0.004 local terms energy: -32.638346 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -3.553 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: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -42.762242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.762242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.762242 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.013 local terms energy: -28.207983 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -44.745808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745808 (E_RNA) where: Base-Base interactions energy: -17.676 where: short stacking energy: -12.324 Base-Backbone interact. energy: -0.111 local terms energy: -26.959728 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -5.566 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: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -47.268384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.268384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.268384 (E_RNA) where: Base-Base interactions energy: -18.306 where: short stacking energy: -18.306 Base-Backbone interact. energy: -0.049 local terms energy: -28.913488 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -43.169821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.169821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.169821 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.057 local terms energy: -31.222079 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -3.653 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: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -41.938744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.938744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.938744 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.020 local terms energy: -25.743114 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.451 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: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -83.072961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072961 (E_RNA) where: Base-Base interactions energy: -43.647 where: short stacking energy: -29.401 Base-Backbone interact. energy: -0.005 local terms energy: -39.420496 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -7.945 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: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -55.738934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.738934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.738934 (E_RNA) where: Base-Base interactions energy: -22.289 where: short stacking energy: -22.289 Base-Backbone interact. energy: -0.012 local terms energy: -33.438114 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -78.591585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.591585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.591585 (E_RNA) where: Base-Base interactions energy: -41.187 where: short stacking energy: -30.116 Base-Backbone interact. energy: -0.004 local terms energy: -37.400848 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -8.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -56.239501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.239501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.239501 (E_RNA) where: Base-Base interactions energy: -22.881 where: short stacking energy: -22.760 Base-Backbone interact. energy: -0.000 local terms energy: -33.358202 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -7.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -48.492464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.492464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.492464 (E_RNA) where: Base-Base interactions energy: -24.246 where: short stacking energy: -13.656 Base-Backbone interact. energy: 2.921 local terms energy: -27.167923 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.582 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -46.540807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.540807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.540807 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -15.687 Base-Backbone interact. energy: -0.100 local terms energy: -30.340841 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.819 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: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -50.746264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.746264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.746264 (E_RNA) where: Base-Base interactions energy: -20.476 where: short stacking energy: -20.476 Base-Backbone interact. energy: -0.033 local terms energy: -30.237156 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -5.857 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: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -62.966053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966053 (E_RNA) where: Base-Base interactions energy: -30.593 where: short stacking energy: -28.025 Base-Backbone interact. energy: -0.000 local terms energy: -32.373222 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -45.332161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.332161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.332161 (E_RNA) where: Base-Base interactions energy: -20.524 where: short stacking energy: -20.524 Base-Backbone interact. energy: -0.000 local terms energy: -24.807968 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.005 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: 10, replica: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -47.164977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.164977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.164977 (E_RNA) where: Base-Base interactions energy: -15.921 where: short stacking energy: -14.373 Base-Backbone interact. energy: -0.001 local terms energy: -31.242952 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -5.318 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: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -73.712257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.712257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.712257 (E_RNA) where: Base-Base interactions energy: -36.269 where: short stacking energy: -30.848 Base-Backbone interact. energy: -0.003 local terms energy: -37.440310 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -9.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -61.114883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.114883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.114883 (E_RNA) where: Base-Base interactions energy: -27.361 where: short stacking energy: -24.263 Base-Backbone interact. energy: -0.046 local terms energy: -33.707709 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -3.216 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: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -61.355048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.355048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.355048 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -23.705 Base-Backbone interact. energy: -0.003 local terms energy: -32.624414 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -3.665 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: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -48.381527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.381527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.381527 (E_RNA) where: Base-Base interactions energy: -20.005 where: short stacking energy: -20.005 Base-Backbone interact. energy: -0.015 local terms energy: -28.361496 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -1.548 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: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -47.796653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796653 (E_RNA) where: Base-Base interactions energy: -18.547 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.020 local terms energy: -29.229479 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -5.757 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: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -52.403249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.403249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.403249 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.095 local terms energy: -27.880304 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.282 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -49.541077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.541077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.541077 (E_RNA) where: Base-Base interactions energy: -24.172 where: short stacking energy: -24.172 Base-Backbone interact. energy: -0.004 local terms energy: -25.365668 where: bonds (distance) C4'-P energy: -1.863 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -40.090634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090634 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.119 local terms energy: -28.125065 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -42.674005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.674005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.674005 (E_RNA) where: Base-Base interactions energy: -15.633 where: short stacking energy: -15.633 Base-Backbone interact. energy: -0.001 local terms energy: -27.040339 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -5.419 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: 10, replica: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -39.646694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.646694 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -8.804 Base-Backbone interact. energy: -0.054 local terms energy: -27.370554 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -57.947898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.947898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.947898 (E_RNA) where: Base-Base interactions energy: -24.823 where: short stacking energy: -24.823 Base-Backbone interact. energy: -0.001 local terms energy: -33.124084 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -65.235217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.235217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.235217 (E_RNA) where: Base-Base interactions energy: -37.101 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.046 local terms energy: -28.089162 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -60.499449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.499449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.499449 (E_RNA) where: Base-Base interactions energy: -24.616 where: short stacking energy: -24.532 Base-Backbone interact. energy: -0.000 local terms energy: -35.883017 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -4.194 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -63.009631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.009631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.009631 (E_RNA) where: Base-Base interactions energy: -26.299 where: short stacking energy: -26.299 Base-Backbone interact. energy: -0.000 local terms energy: -36.711073 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -9.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -50.585794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.585794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.585794 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.000 local terms energy: -29.133436 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -3.437 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: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -49.375589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.375589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.375589 (E_RNA) where: Base-Base interactions energy: -21.642 where: short stacking energy: -21.642 Base-Backbone interact. energy: -0.117 local terms energy: -27.616114 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -55.157064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.157064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.157064 (E_RNA) where: Base-Base interactions energy: -20.548 where: short stacking energy: -20.548 Base-Backbone interact. energy: -0.001 local terms energy: -34.608316 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -50.583731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.583731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.583731 (E_RNA) where: Base-Base interactions energy: -23.890 where: short stacking energy: -15.723 Base-Backbone interact. energy: -0.000 local terms energy: -26.693197 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.509 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: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -45.374976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.374976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.374976 (E_RNA) where: Base-Base interactions energy: -19.704 where: short stacking energy: -9.976 Base-Backbone interact. energy: 1.079 local terms energy: -26.750051 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: 0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -39.259139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.259139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.259139 (E_RNA) where: Base-Base interactions energy: -12.251 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.061 local terms energy: -26.947257 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: 1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -79.270566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.270566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.270566 (E_RNA) where: Base-Base interactions energy: -40.909 where: short stacking energy: -24.393 Base-Backbone interact. energy: -1.017 local terms energy: -37.345010 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -7.058 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: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -67.449140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.449140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.449140 (E_RNA) where: Base-Base interactions energy: -32.000 where: short stacking energy: -30.845 Base-Backbone interact. energy: -0.000 local terms energy: -35.449126 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -8.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -51.472759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.472759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.472759 (E_RNA) where: Base-Base interactions energy: -18.577 where: short stacking energy: -18.577 Base-Backbone interact. energy: -0.061 local terms energy: -32.834781 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -59.112990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.112990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.112990 (E_RNA) where: Base-Base interactions energy: -24.099 where: short stacking energy: -24.099 Base-Backbone interact. energy: -0.000 local terms energy: -35.013481 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -6.321 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: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -51.477241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.477241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.477241 (E_RNA) where: Base-Base interactions energy: -20.773 where: short stacking energy: -20.773 Base-Backbone interact. energy: -0.046 local terms energy: -30.658374 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -50.788442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.788442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.788442 (E_RNA) where: Base-Base interactions energy: -16.854 where: short stacking energy: -16.854 Base-Backbone interact. energy: -0.000 local terms energy: -33.934195 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -54.872182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.872182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.872182 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.277 Base-Backbone interact. energy: 0.759 local terms energy: -34.353803 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -49.892437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.892437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.892437 (E_RNA) where: Base-Base interactions energy: -20.720 where: short stacking energy: -20.720 Base-Backbone interact. energy: -0.000 local terms energy: -29.172376 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -5.690 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.441 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: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -43.927752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.927752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.927752 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -13.011 Base-Backbone interact. energy: -0.099 local terms energy: -30.817533 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -39.185036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.185036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.185036 (E_RNA) where: Base-Base interactions energy: -15.559 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.057 local terms energy: -23.569214 where: bonds (distance) C4'-P energy: -1.241 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -65.519132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.519132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.519132 (E_RNA) where: Base-Base interactions energy: -29.693 where: short stacking energy: -29.693 Base-Backbone interact. energy: -0.000 local terms energy: -35.826086 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -6.210 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: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -83.555183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.555183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.555183 (E_RNA) where: Base-Base interactions energy: -45.138 where: short stacking energy: -29.297 Base-Backbone interact. energy: -0.001 local terms energy: -38.416289 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -63.646658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.646658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.646658 (E_RNA) where: Base-Base interactions energy: -26.786 where: short stacking energy: -26.786 Base-Backbone interact. energy: -0.461 local terms energy: -36.399467 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -7.580 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: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -74.235706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.235706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.235706 (E_RNA) where: Base-Base interactions energy: -47.298 where: short stacking energy: -30.231 Base-Backbone interact. energy: -0.000 local terms energy: -26.937789 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -2.253 flat angles P-C4'-P energy: -4.263 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: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -48.962883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.962883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.962883 (E_RNA) where: Base-Base interactions energy: -19.044 where: short stacking energy: -19.044 Base-Backbone interact. energy: 0.280 local terms energy: -30.198714 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.068 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: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -53.241099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.241099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.241099 (E_RNA) where: Base-Base interactions energy: -26.693 where: short stacking energy: -18.422 Base-Backbone interact. energy: -0.059 local terms energy: -26.489873 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.346 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: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -54.386269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.386269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.386269 (E_RNA) where: Base-Base interactions energy: -28.525 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.007 local terms energy: -25.853537 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -46.796611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.796611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.796611 (E_RNA) where: Base-Base interactions energy: -20.217 where: short stacking energy: -19.611 Base-Backbone interact. energy: -0.004 local terms energy: -26.575479 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.038 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.149 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: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -49.251066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.251066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.251066 (E_RNA) where: Base-Base interactions energy: -20.849 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.002 local terms energy: -28.400412 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -36.369002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.369002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.369002 (E_RNA) where: Base-Base interactions energy: -14.285 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.716 local terms energy: -21.368981 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.801 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -61.440024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.440024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.440024 (E_RNA) where: Base-Base interactions energy: -28.131 where: short stacking energy: -28.131 Base-Backbone interact. energy: -0.000 local terms energy: -33.309166 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.363 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: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -76.236139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.236139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.236139 (E_RNA) where: Base-Base interactions energy: -41.674 where: short stacking energy: -26.760 Base-Backbone interact. energy: -0.001 local terms energy: -34.560345 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -66.290518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.290518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.290518 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -26.258 Base-Backbone interact. energy: -0.000 local terms energy: -40.032409 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -62.428356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.428356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.428356 (E_RNA) where: Base-Base interactions energy: -33.613 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.000 local terms energy: -28.815163 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -5.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -47.783333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.783333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.783333 (E_RNA) where: Base-Base interactions energy: -18.229 where: short stacking energy: -18.115 Base-Backbone interact. energy: -0.066 local terms energy: -29.488811 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -5.520 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: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -46.561655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.561655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.561655 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -17.725 Base-Backbone interact. energy: -0.023 local terms energy: -27.796974 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -46.633485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.633485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.633485 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.037 local terms energy: -29.717297 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.313 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: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -45.371474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.371474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.371474 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.024 local terms energy: -30.764390 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -6.690 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: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -39.603532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.603532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.603532 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.092 local terms energy: -29.144108 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -41.195872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.195872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.195872 (E_RNA) where: Base-Base interactions energy: -12.862 where: short stacking energy: -12.862 Base-Backbone interact. energy: -0.081 local terms energy: -28.252716 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -3.159 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: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -82.664439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.664439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.664439 (E_RNA) where: Base-Base interactions energy: -46.518 where: short stacking energy: -25.652 Base-Backbone interact. energy: -0.001 local terms energy: -36.145830 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -5.203 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: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -61.694880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.694880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.694880 (E_RNA) where: Base-Base interactions energy: -27.611 where: short stacking energy: -27.345 Base-Backbone interact. energy: -0.000 local terms energy: -34.084245 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -64.646781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.646781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.646781 (E_RNA) where: Base-Base interactions energy: -30.891 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.000 local terms energy: -33.755740 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -49.410473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.410473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.410473 (E_RNA) where: Base-Base interactions energy: -23.687 where: short stacking energy: -22.577 Base-Backbone interact. energy: -0.013 local terms energy: -25.710992 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -5.025 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: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -47.216961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.216961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.216961 (E_RNA) where: Base-Base interactions energy: -15.134 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.000 local terms energy: -32.082935 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -1.565 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: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -52.231297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.231297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.231297 (E_RNA) where: Base-Base interactions energy: -22.727 where: short stacking energy: -22.727 Base-Backbone interact. energy: -0.076 local terms energy: -29.428745 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -46.627471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627471 (E_RNA) where: Base-Base interactions energy: -14.606 where: short stacking energy: -14.606 Base-Backbone interact. energy: -0.038 local terms energy: -31.983340 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -3.761 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: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -44.493205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.493205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.493205 (E_RNA) where: Base-Base interactions energy: -15.020 where: short stacking energy: -15.020 Base-Backbone interact. energy: -0.106 local terms energy: -29.367299 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -5.831 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: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -40.132416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.132416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.132416 (E_RNA) where: Base-Base interactions energy: -15.911 where: short stacking energy: -9.361 Base-Backbone interact. energy: -0.048 local terms energy: -24.173027 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.953 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: 2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -38.946897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946897 (E_RNA) where: Base-Base interactions energy: -15.395 where: short stacking energy: -15.395 Base-Backbone interact. energy: 1.389 local terms energy: -24.940699 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -4.075 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: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -81.036574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.036574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.036574 (E_RNA) where: Base-Base interactions energy: -45.165 where: short stacking energy: -30.138 Base-Backbone interact. energy: -0.001 local terms energy: -35.870372 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -6.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -70.066120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.066120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.066120 (E_RNA) where: Base-Base interactions energy: -36.190 where: short stacking energy: -26.557 Base-Backbone interact. energy: -0.465 local terms energy: -33.411034 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -57.809779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.809779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.809779 (E_RNA) where: Base-Base interactions energy: -22.373 where: short stacking energy: -22.373 Base-Backbone interact. energy: 1.063 local terms energy: -36.499850 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -5.027 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: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -55.651091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.651091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.651091 (E_RNA) where: Base-Base interactions energy: -24.229 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.001 local terms energy: -31.421429 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -49.507426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.507426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.507426 (E_RNA) where: Base-Base interactions energy: -18.727 where: short stacking energy: -18.727 Base-Backbone interact. energy: -0.000 local terms energy: -30.780536 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.710 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: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -51.189015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.189015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.189015 (E_RNA) where: Base-Base interactions energy: -20.369 where: short stacking energy: -18.124 Base-Backbone interact. energy: -0.203 local terms energy: -30.616992 where: bonds (distance) C4'-P energy: -5.074 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -4.311 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: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -46.837949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.837949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.837949 (E_RNA) where: Base-Base interactions energy: -16.002 where: short stacking energy: -16.002 Base-Backbone interact. energy: -0.143 local terms energy: -30.692115 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -5.719 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: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -41.601509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.601509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.601509 (E_RNA) where: Base-Base interactions energy: -10.370 where: short stacking energy: -10.044 Base-Backbone interact. energy: -0.151 local terms energy: -31.081084 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -48.416896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.416896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.416896 (E_RNA) where: Base-Base interactions energy: -18.836 where: short stacking energy: -15.534 Base-Backbone interact. energy: -0.031 local terms energy: -29.549845 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -45.577161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.577161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.577161 (E_RNA) where: Base-Base interactions energy: -20.057 where: short stacking energy: -20.057 Base-Backbone interact. energy: -0.008 local terms energy: -25.512277 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -71.880268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.880268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.880268 (E_RNA) where: Base-Base interactions energy: -36.142 where: short stacking energy: -27.243 Base-Backbone interact. energy: -0.000 local terms energy: -35.737785 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -6.892 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: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -72.067977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.067977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.067977 (E_RNA) where: Base-Base interactions energy: -43.385 where: short stacking energy: -17.971 Base-Backbone interact. energy: 0.015 local terms energy: -28.698331 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -60.244233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.244233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.244233 (E_RNA) where: Base-Base interactions energy: -27.274 where: short stacking energy: -27.274 Base-Backbone interact. energy: -0.000 local terms energy: -32.970139 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -59.631216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.631216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.631216 (E_RNA) where: Base-Base interactions energy: -25.388 where: short stacking energy: -25.388 Base-Backbone interact. energy: -0.016 local terms energy: -34.227220 where: bonds (distance) C4'-P energy: -3.757 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -50.115763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.115763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.115763 (E_RNA) where: Base-Base interactions energy: -23.019 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.007 local terms energy: -27.089719 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -54.809715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.809715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.809715 (E_RNA) where: Base-Base interactions energy: -22.074 where: short stacking energy: -22.074 Base-Backbone interact. energy: -0.001 local terms energy: -32.734836 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -50.940802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.940802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.940802 (E_RNA) where: Base-Base interactions energy: -20.823 where: short stacking energy: -20.823 Base-Backbone interact. energy: -0.020 local terms energy: -30.097626 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.179 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: 8, replica: 8 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -44.818538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.818538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.818538 (E_RNA) where: Base-Base interactions energy: -14.306 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.056 local terms energy: -30.455970 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -45.180388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.180388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.180388 (E_RNA) where: Base-Base interactions energy: -17.548 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.081 local terms energy: -27.551833 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.682 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -40.035912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.035912 (E_RNA) where: Base-Base interactions energy: -11.569 where: short stacking energy: -11.569 Base-Backbone interact. energy: -0.013 local terms energy: -28.454443 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: 0.074 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -76.432837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.432837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.432837 (E_RNA) where: Base-Base interactions energy: -37.467 where: short stacking energy: -32.978 Base-Backbone interact. energy: -0.000 local terms energy: -38.965885 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -61.603897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.603897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.603897 (E_RNA) where: Base-Base interactions energy: -30.408 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.224 local terms energy: -30.972022 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -5.768 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: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -57.265256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.265256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.265256 (E_RNA) where: Base-Base interactions energy: -21.494 where: short stacking energy: -21.494 Base-Backbone interact. energy: -0.003 local terms energy: -35.767431 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.316 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: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -62.975603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.975603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.975603 (E_RNA) where: Base-Base interactions energy: -33.368 where: short stacking energy: -24.353 Base-Backbone interact. energy: -0.114 local terms energy: -29.494088 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -0.133 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -50.278367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.278367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.278367 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.021 local terms energy: -29.074659 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -4.235 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: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -48.450826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.450826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.450826 (E_RNA) where: Base-Base interactions energy: -24.858 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.002 local terms energy: -23.591108 where: bonds (distance) C4'-P energy: -3.416 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.357 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: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -44.801227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.801227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.801227 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.050 local terms energy: -30.326924 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -50.828787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.828787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.828787 (E_RNA) where: Base-Base interactions energy: -20.287 where: short stacking energy: -20.287 Base-Backbone interact. energy: -0.001 local terms energy: -30.541132 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.736 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: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -44.030342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.030342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.030342 (E_RNA) where: Base-Base interactions energy: -12.415 where: short stacking energy: -12.415 Base-Backbone interact. energy: -0.135 local terms energy: -31.480120 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -6.444 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: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -51.631086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.631086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.631086 (E_RNA) where: Base-Base interactions energy: -18.122 where: short stacking energy: -18.122 Base-Backbone interact. energy: -0.000 local terms energy: -33.508783 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -57.986225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.986225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.986225 (E_RNA) where: Base-Base interactions energy: -24.113 where: short stacking energy: -24.113 Base-Backbone interact. energy: -0.002 local terms energy: -33.871765 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -7.129 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: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -70.790165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.790165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.790165 (E_RNA) where: Base-Base interactions energy: -33.109 where: short stacking energy: -33.109 Base-Backbone interact. energy: -0.000 local terms energy: -37.681261 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -8.866 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: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -60.923793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.923793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.923793 (E_RNA) where: Base-Base interactions energy: -28.122 where: short stacking energy: -25.881 Base-Backbone interact. energy: -0.001 local terms energy: -32.800972 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -5.670 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: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -53.463390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.463390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.463390 (E_RNA) where: Base-Base interactions energy: -21.112 where: short stacking energy: -21.112 Base-Backbone interact. energy: -0.000 local terms energy: -32.350988 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -48.633100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.633100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.633100 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -17.704 Base-Backbone interact. energy: -0.049 local terms energy: -30.880523 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -5.751 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: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -55.468325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.468325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.468325 (E_RNA) where: Base-Base interactions energy: -25.353 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.030 local terms energy: -30.085054 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -56.188172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.188172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.188172 (E_RNA) where: Base-Base interactions energy: -26.102 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.031 local terms energy: -30.054965 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -3.762 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: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -46.529374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.529374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.529374 (E_RNA) where: Base-Base interactions energy: -15.682 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.091 local terms energy: -30.756636 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -44.089846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.089846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.089846 (E_RNA) where: Base-Base interactions energy: -17.291 where: short stacking energy: -16.873 Base-Backbone interact. energy: -0.026 local terms energy: -26.773012 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -3.974 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -4.612 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: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -43.227163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.227163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.227163 (E_RNA) where: Base-Base interactions energy: -17.599 where: short stacking energy: -11.808 Base-Backbone interact. energy: -0.028 local terms energy: -25.600187 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -6.527 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -70.012093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.012093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.012093 (E_RNA) where: Base-Base interactions energy: -29.725 where: short stacking energy: -29.725 Base-Backbone interact. energy: -0.000 local terms energy: -40.286978 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -60.745535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.745535 (E_RNA) where: Base-Base interactions energy: -28.367 where: short stacking energy: -28.367 Base-Backbone interact. energy: -0.034 local terms energy: -32.343899 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -5.856 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -6.295 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -53.123185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.123185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.123185 (E_RNA) where: Base-Base interactions energy: -22.684 where: short stacking energy: -22.353 Base-Backbone interact. energy: -0.066 local terms energy: -30.373409 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -3.349 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: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -55.450036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.450036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.450036 (E_RNA) where: Base-Base interactions energy: -19.863 where: short stacking energy: -19.863 Base-Backbone interact. energy: -0.055 local terms energy: -35.531842 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -4.811 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -45.526039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.526039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.526039 (E_RNA) where: Base-Base interactions energy: -14.861 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.129 local terms energy: -30.535585 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -52.108579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.108579 (E_RNA) where: Base-Base interactions energy: -19.467 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.297 local terms energy: -32.344322 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -48.964696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.964696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.964696 (E_RNA) where: Base-Base interactions energy: -18.002 where: short stacking energy: -18.002 Base-Backbone interact. energy: -0.000 local terms energy: -30.962308 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.288 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: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -52.348592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.348592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.348592 (E_RNA) where: Base-Base interactions energy: -21.984 where: short stacking energy: -19.755 Base-Backbone interact. energy: -0.064 local terms energy: -30.300904 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -47.743933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.743933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.743933 (E_RNA) where: Base-Base interactions energy: -16.671 where: short stacking energy: -13.229 Base-Backbone interact. energy: -0.102 local terms energy: -30.970677 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -35.555302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.555302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.555302 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.000 local terms energy: -22.781337 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: 0.170 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: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -60.700734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.700734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.700734 (E_RNA) where: Base-Base interactions energy: -28.373 where: short stacking energy: -28.373 Base-Backbone interact. energy: -0.035 local terms energy: -32.292840 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -65.787464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.787464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.787464 (E_RNA) where: Base-Base interactions energy: -27.635 where: short stacking energy: -27.635 Base-Backbone interact. energy: -0.000 local terms energy: -38.152496 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -60.414210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.414210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.414210 (E_RNA) where: Base-Base interactions energy: -19.935 where: short stacking energy: -19.935 Base-Backbone interact. energy: -0.003 local terms energy: -40.476345 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.769 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -60.830418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.830418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.830418 (E_RNA) where: Base-Base interactions energy: -28.194 where: short stacking energy: -15.460 Base-Backbone interact. energy: -0.000 local terms energy: -32.635731 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -51.128123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.128123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.128123 (E_RNA) where: Base-Base interactions energy: -18.771 where: short stacking energy: -18.771 Base-Backbone interact. energy: -0.002 local terms energy: -32.354881 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -8.868 flat angles P-C4'-P energy: -5.968 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: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -49.665554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.665554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.665554 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -17.704 Base-Backbone interact. energy: -0.003 local terms energy: -31.958512 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -55.578936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.578936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.578936 (E_RNA) where: Base-Base interactions energy: -27.442 where: short stacking energy: -16.250 Base-Backbone interact. energy: -0.067 local terms energy: -28.070203 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -4.257 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: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -50.077443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.077443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.077443 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -19.105 Base-Backbone interact. energy: -0.119 local terms energy: -30.852986 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -1.676 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: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -44.769856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.769856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.769856 (E_RNA) where: Base-Base interactions energy: -13.388 where: short stacking energy: -12.762 Base-Backbone interact. energy: 0.280 local terms energy: -31.662505 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -45.638845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.638845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.638845 (E_RNA) where: Base-Base interactions energy: -16.287 where: short stacking energy: -16.287 Base-Backbone interact. energy: -0.001 local terms energy: -29.350457 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.411 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: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -62.516121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.516121 (E_RNA) where: Base-Base interactions energy: -26.358 where: short stacking energy: -26.358 Base-Backbone interact. energy: -0.000 local terms energy: -36.158309 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.025 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -8.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -65.036435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.036435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.036435 (E_RNA) where: Base-Base interactions energy: -30.364 where: short stacking energy: -30.364 Base-Backbone interact. energy: -0.070 local terms energy: -34.602520 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -8.909 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: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -64.570184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.570184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.570184 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.010 local terms energy: -37.515293 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -6.616 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -6.778 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: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -68.999319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.999319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.999319 (E_RNA) where: Base-Base interactions energy: -31.385 where: short stacking energy: -31.385 Base-Backbone interact. energy: -0.000 local terms energy: -37.613991 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -9.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -52.140896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.140896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.140896 (E_RNA) where: Base-Base interactions energy: -20.295 where: short stacking energy: -20.295 Base-Backbone interact. energy: -0.004 local terms energy: -31.841315 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -44.811658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.811658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.811658 (E_RNA) where: Base-Base interactions energy: -17.270 where: short stacking energy: -17.543 Base-Backbone interact. energy: 0.418 local terms energy: -27.959266 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -0.222 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: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -48.922344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922344 (E_RNA) where: Base-Base interactions energy: -21.453 where: short stacking energy: -18.160 Base-Backbone interact. energy: -0.009 local terms energy: -27.460641 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -2.976 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: 57 Temperature: 1.250000 Total energy: -49.902976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.902976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.902976 (E_RNA) where: Base-Base interactions energy: -14.894 where: short stacking energy: -14.894 Base-Backbone interact. energy: -0.000 local terms energy: -35.008622 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -7.059 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: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -55.694452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.694452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.694452 (E_RNA) where: Base-Base interactions energy: -27.463 where: short stacking energy: -14.480 Base-Backbone interact. energy: -0.191 local terms energy: -28.039597 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -43.976172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.976172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.976172 (E_RNA) where: Base-Base interactions energy: -15.072 where: short stacking energy: -15.072 Base-Backbone interact. energy: -0.034 local terms energy: -28.870450 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -4.556 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: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -59.053789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.053789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.053789 (E_RNA) where: Base-Base interactions energy: -27.651 where: short stacking energy: -21.949 Base-Backbone interact. energy: -0.111 local terms energy: -31.291822 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -65.098925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.098925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.098925 (E_RNA) where: Base-Base interactions energy: -28.597 where: short stacking energy: -28.597 Base-Backbone interact. energy: -0.000 local terms energy: -36.501854 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -65.662496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.662496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.662496 (E_RNA) where: Base-Base interactions energy: -26.737 where: short stacking energy: -26.737 Base-Backbone interact. energy: -0.000 local terms energy: -38.924994 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -55.228638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.228638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.228638 (E_RNA) where: Base-Base interactions energy: -27.775 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.161 local terms energy: -27.292213 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -50.264667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.264667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.264667 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.003 local terms energy: -28.483514 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -5.710 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: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -47.815958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.815958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.815958 (E_RNA) where: Base-Base interactions energy: -16.817 where: short stacking energy: -16.817 Base-Backbone interact. energy: 0.463 local terms energy: -31.462169 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.738 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: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -58.174335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.174335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.174335 (E_RNA) where: Base-Base interactions energy: -23.982 where: short stacking energy: -23.982 Base-Backbone interact. energy: -0.013 local terms energy: -34.179344 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -50.722454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.722454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.722454 (E_RNA) where: Base-Base interactions energy: -20.105 where: short stacking energy: -20.105 Base-Backbone interact. energy: -0.006 local terms energy: -30.611201 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -6.772 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: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -47.770602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.770602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.770602 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -19.906 Base-Backbone interact. energy: -0.064 local terms energy: -26.671213 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -5.090 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: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -41.109942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.109942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.109942 (E_RNA) where: Base-Base interactions energy: -14.937 where: short stacking energy: -14.937 Base-Backbone interact. energy: -0.099 local terms energy: -26.073977 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -73.119513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.119513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.119513 (E_RNA) where: Base-Base interactions energy: -41.095 where: short stacking energy: -23.360 Base-Backbone interact. energy: -0.100 local terms energy: -31.924087 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -4.706 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: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -64.914304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.914304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.914304 (E_RNA) where: Base-Base interactions energy: -29.653 where: short stacking energy: -29.653 Base-Backbone interact. energy: -0.000 local terms energy: -35.261368 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -48.052546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.052546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.052546 (E_RNA) where: Base-Base interactions energy: -13.932 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.033 local terms energy: -34.087808 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -63.062061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.062061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.062061 (E_RNA) where: Base-Base interactions energy: -31.189 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.127 local terms energy: -31.745693 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -53.796093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.796093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.796093 (E_RNA) where: Base-Base interactions energy: -24.090 where: short stacking energy: -16.158 Base-Backbone interact. energy: -0.003 local terms energy: -29.703213 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -53.001588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.001588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.001588 (E_RNA) where: Base-Base interactions energy: -19.935 where: short stacking energy: -14.547 Base-Backbone interact. energy: -1.056 local terms energy: -32.010870 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -52.766602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.766602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.766602 (E_RNA) where: Base-Base interactions energy: -22.457 where: short stacking energy: -22.457 Base-Backbone interact. energy: -0.075 local terms energy: -30.234764 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -5.549 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: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -47.205279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.205279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.205279 (E_RNA) where: Base-Base interactions energy: -16.998 where: short stacking energy: -16.998 Base-Backbone interact. energy: -0.013 local terms energy: -30.194865 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -46.987071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.987071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.987071 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.034 local terms energy: -31.788225 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -6.159 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: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -41.541940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.541940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.541940 (E_RNA) where: Base-Base interactions energy: -13.618 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.088 local terms energy: -27.835745 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -60.067073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.067073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.067073 (E_RNA) where: Base-Base interactions energy: -24.231 where: short stacking energy: -24.231 Base-Backbone interact. energy: -0.000 local terms energy: -35.836011 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -7.518 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: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -85.839867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.839867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.839867 (E_RNA) where: Base-Base interactions energy: -49.559 where: short stacking energy: -32.196 Base-Backbone interact. energy: -0.001 local terms energy: -36.280353 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -6.398 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: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -51.331094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.331094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.331094 (E_RNA) where: Base-Base interactions energy: -20.272 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.097 local terms energy: -30.961953 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -53.166173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.166173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.166173 (E_RNA) where: Base-Base interactions energy: -19.705 where: short stacking energy: -19.705 Base-Backbone interact. energy: -0.076 local terms energy: -33.384740 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -5.618 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: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -56.331003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.331003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.331003 (E_RNA) where: Base-Base interactions energy: -27.427 where: short stacking energy: -18.827 Base-Backbone interact. energy: -0.066 local terms energy: -28.838639 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.702 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -5.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -51.733058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.733058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.733058 (E_RNA) where: Base-Base interactions energy: -18.517 where: short stacking energy: -15.325 Base-Backbone interact. energy: -0.000 local terms energy: -33.216105 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -46.616128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.616128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.616128 (E_RNA) where: Base-Base interactions energy: -17.107 where: short stacking energy: -17.081 Base-Backbone interact. energy: -0.134 local terms energy: -29.374274 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -2.642 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: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -42.171507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.171507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.171507 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.105 local terms energy: -32.031976 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -43.513682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.513682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.513682 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -19.230 Base-Backbone interact. energy: -0.256 local terms energy: -23.423730 where: bonds (distance) C4'-P energy: -5.400 bonds (distance) P-C4' energy: -5.142 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -3.627 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: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -44.631811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.631811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.631811 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.032 local terms energy: -29.849740 where: bonds (distance) C4'-P energy: -4.003 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -5.978 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: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -63.397952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.397952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.397952 (E_RNA) where: Base-Base interactions energy: -29.433 where: short stacking energy: -29.433 Base-Backbone interact. energy: -0.000 local terms energy: -33.964564 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -77.173699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.173699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.173699 (E_RNA) where: Base-Base interactions energy: -42.504 where: short stacking energy: -27.201 Base-Backbone interact. energy: -0.009 local terms energy: -34.660091 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -62.104958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.104958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.104958 (E_RNA) where: Base-Base interactions energy: -25.102 where: short stacking energy: -25.102 Base-Backbone interact. energy: -0.000 local terms energy: -37.002789 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -6.028 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: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -52.824321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.824321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.824321 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -24.317 Base-Backbone interact. energy: -0.000 local terms energy: -27.172837 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: 0.059 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -47.379060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.379060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.379060 (E_RNA) where: Base-Base interactions energy: -16.174 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.039 local terms energy: -31.166370 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -48.142530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.142530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.142530 (E_RNA) where: Base-Base interactions energy: -19.343 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.001 local terms energy: -28.798198 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -51.083377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.083377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.083377 (E_RNA) where: Base-Base interactions energy: -22.685 where: short stacking energy: -22.184 Base-Backbone interact. energy: -0.129 local terms energy: -28.269310 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -6.366 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: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -50.769628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.769628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.769628 (E_RNA) where: Base-Base interactions energy: -19.493 where: short stacking energy: -19.493 Base-Backbone interact. energy: -0.000 local terms energy: -31.276513 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -6.316 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: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -54.933038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.933038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.933038 (E_RNA) where: Base-Base interactions energy: -28.990 where: short stacking energy: -28.990 Base-Backbone interact. energy: 0.550 local terms energy: -26.492996 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -39.881908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.881908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.881908 (E_RNA) where: Base-Base interactions energy: -6.010 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.094 local terms energy: -33.778687 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -67.110181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.110181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.110181 (E_RNA) where: Base-Base interactions energy: -28.896 where: short stacking energy: -28.896 Base-Backbone interact. energy: 0.083 local terms energy: -38.297591 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -72.995742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.995742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.995742 (E_RNA) where: Base-Base interactions energy: -36.965 where: short stacking energy: -22.474 Base-Backbone interact. energy: -0.027 local terms energy: -36.003249 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -63.791202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.791202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.791202 (E_RNA) where: Base-Base interactions energy: -24.963 where: short stacking energy: -24.963 Base-Backbone interact. energy: -0.010 local terms energy: -38.818579 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -61.911583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.911583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.911583 (E_RNA) where: Base-Base interactions energy: -28.672 where: short stacking energy: -28.672 Base-Backbone interact. energy: -0.000 local terms energy: -33.239442 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -7.295 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: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -47.099915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.099915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.099915 (E_RNA) where: Base-Base interactions energy: -17.955 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.438 local terms energy: -28.706811 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -50.610234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.610234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.610234 (E_RNA) where: Base-Base interactions energy: -19.801 where: short stacking energy: -19.801 Base-Backbone interact. energy: -0.000 local terms energy: -30.809283 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.938 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: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -50.207922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.207922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.207922 (E_RNA) where: Base-Base interactions energy: -19.455 where: short stacking energy: -19.455 Base-Backbone interact. energy: 0.284 local terms energy: -31.037118 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -5.406 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: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -47.697678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.697678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.697678 (E_RNA) where: Base-Base interactions energy: -19.806 where: short stacking energy: -19.806 Base-Backbone interact. energy: -0.006 local terms energy: -27.886123 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -1.532 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -42.508974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.508974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.508974 (E_RNA) where: Base-Base interactions energy: -14.575 where: short stacking energy: -14.575 Base-Backbone interact. energy: 0.053 local terms energy: -27.986914 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -40.228024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.228024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.228024 (E_RNA) where: Base-Base interactions energy: -14.152 where: short stacking energy: -14.152 Base-Backbone interact. energy: -0.007 local terms energy: -26.068863 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -68.071371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.071371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.071371 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -33.135 Base-Backbone interact. energy: -0.001 local terms energy: -34.935240 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -59.655024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.655024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.655024 (E_RNA) where: Base-Base interactions energy: -27.054 where: short stacking energy: -27.054 Base-Backbone interact. energy: -1.055 local terms energy: -31.546534 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -71.762626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.762626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.762626 (E_RNA) where: Base-Base interactions energy: -36.274 where: short stacking energy: -18.463 Base-Backbone interact. energy: -0.000 local terms energy: -35.488069 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -4.730 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: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -50.031103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.031103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.031103 (E_RNA) where: Base-Base interactions energy: -18.807 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.058 local terms energy: -31.166133 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.828 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: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -47.839113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.839113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.839113 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.101 local terms energy: -31.506310 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.918 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: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -47.120816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.120816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.120816 (E_RNA) where: Base-Base interactions energy: -20.501 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.098 local terms energy: -26.521715 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -4.305 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: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -44.548576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.548576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.548576 (E_RNA) where: Base-Base interactions energy: -16.975 where: short stacking energy: -16.975 Base-Backbone interact. energy: -0.134 local terms energy: -27.438850 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -45.002377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.002377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.002377 (E_RNA) where: Base-Base interactions energy: -17.300 where: short stacking energy: -13.486 Base-Backbone interact. energy: -0.075 local terms energy: -27.627710 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -1.715 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: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -37.457831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.457831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.457831 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -12.461 Base-Backbone interact. energy: -0.096 local terms energy: -24.901279 where: bonds (distance) C4'-P energy: -3.473 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -42.701145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.701145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.701145 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: -0.000 local terms energy: -29.592504 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.620 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: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -65.676687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.676687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.676687 (E_RNA) where: Base-Base interactions energy: -28.326 where: short stacking energy: -28.326 Base-Backbone interact. energy: -0.019 local terms energy: -37.331541 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -7.705 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -60.435764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.435764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.435764 (E_RNA) where: Base-Base interactions energy: -24.736 where: short stacking energy: -24.736 Base-Backbone interact. energy: -0.024 local terms energy: -35.675697 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -56.003950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.003950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.003950 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -25.069 Base-Backbone interact. energy: -0.015 local terms energy: -30.920384 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -2.171 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: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -53.178475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.178475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.178475 (E_RNA) where: Base-Base interactions energy: -21.542 where: short stacking energy: -21.542 Base-Backbone interact. energy: -0.028 local terms energy: -31.607903 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -4.664 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: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -52.898920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.898920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.898920 (E_RNA) where: Base-Base interactions energy: -19.355 where: short stacking energy: -19.355 Base-Backbone interact. energy: -0.184 local terms energy: -33.360829 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -5.071 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: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -48.938479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.938479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.938479 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.019 local terms energy: -28.038348 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.766 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -47.307525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307525 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.000 local terms energy: -34.735544 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -5.873 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -46.126459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.126459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.126459 (E_RNA) where: Base-Base interactions energy: -17.250 where: short stacking energy: -13.654 Base-Backbone interact. energy: -0.050 local terms energy: -28.826481 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -42.855199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.855199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.855199 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.037 local terms energy: -30.054073 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -41.831604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.831604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.831604 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.367 Base-Backbone interact. energy: -0.014 local terms energy: -27.450889 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -66.991681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.991681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.991681 (E_RNA) where: Base-Base interactions energy: -31.277 where: short stacking energy: -31.277 Base-Backbone interact. energy: -0.000 local terms energy: -35.714636 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.767 tors. eta vs tors. theta energy: -10.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -71.753239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.753239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.753239 (E_RNA) where: Base-Base interactions energy: -37.615 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.000 local terms energy: -34.137862 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -7.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -57.186655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.186655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.186655 (E_RNA) where: Base-Base interactions energy: -24.421 where: short stacking energy: -24.421 Base-Backbone interact. energy: -0.074 local terms energy: -32.692246 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -55.913848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.913848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.913848 (E_RNA) where: Base-Base interactions energy: -20.236 where: short stacking energy: -17.623 Base-Backbone interact. energy: -0.005 local terms energy: -35.672866 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -48.407201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.407201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.407201 (E_RNA) where: Base-Base interactions energy: -20.556 where: short stacking energy: -20.556 Base-Backbone interact. energy: -0.007 local terms energy: -27.844667 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -3.159 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: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -49.577658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.577658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.577658 (E_RNA) where: Base-Base interactions energy: -16.376 where: short stacking energy: -14.816 Base-Backbone interact. energy: -0.000 local terms energy: -33.201498 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -0.354 tors. eta vs tors. theta energy: -7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -46.281551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.281551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.281551 (E_RNA) where: Base-Base interactions energy: -16.351 where: short stacking energy: -16.351 Base-Backbone interact. energy: -0.003 local terms energy: -29.927527 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.012 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.629 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -45.443587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.443587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.443587 (E_RNA) where: Base-Base interactions energy: -19.071 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.001 local terms energy: -26.371951 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -0.459 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -50.462441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.462441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.462441 (E_RNA) where: Base-Base interactions energy: -19.477 where: short stacking energy: -19.477 Base-Backbone interact. energy: -0.001 local terms energy: -30.984641 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -46.599858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.599858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.599858 (E_RNA) where: Base-Base interactions energy: -19.824 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.054 local terms energy: -26.722664 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -64.849563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.849563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.849563 (E_RNA) where: Base-Base interactions energy: -29.182 where: short stacking energy: -27.672 Base-Backbone interact. energy: -0.149 local terms energy: -35.518825 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -53.857930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.857930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.857930 (E_RNA) where: Base-Base interactions energy: -23.817 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.048 local terms energy: -29.993267 where: bonds (distance) C4'-P energy: -4.302 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -62.669364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.669364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.669364 (E_RNA) where: Base-Base interactions energy: -28.363 where: short stacking energy: -28.363 Base-Backbone interact. energy: -0.000 local terms energy: -34.306251 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.336 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -8.369 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: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -55.248687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.248687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.248687 (E_RNA) where: Base-Base interactions energy: -22.379 where: short stacking energy: -22.379 Base-Backbone interact. energy: -0.011 local terms energy: -32.858615 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -5.988 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: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -53.050330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.050330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.050330 (E_RNA) where: Base-Base interactions energy: -16.900 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.001 local terms energy: -36.148615 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -48.109931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.109931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.109931 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.061 local terms energy: -29.810515 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -5.094 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: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -53.990648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.990648 (E_RNA) where: Base-Base interactions energy: -23.536 where: short stacking energy: -22.179 Base-Backbone interact. energy: -0.001 local terms energy: -30.453523 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -46.571182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.571182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.571182 (E_RNA) where: Base-Base interactions energy: -16.729 where: short stacking energy: -16.196 Base-Backbone interact. energy: -0.010 local terms energy: -29.832660 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -5.458 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: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -44.113337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.113337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.113337 (E_RNA) where: Base-Base interactions energy: -15.956 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.021 local terms energy: -28.136290 where: bonds (distance) C4'-P energy: -5.915 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -3.230 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: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -38.659714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659714 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.146 local terms energy: -31.084798 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -72.695217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.695217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.695217 (E_RNA) where: Base-Base interactions energy: -42.696 where: short stacking energy: -25.570 Base-Backbone interact. energy: 0.146 local terms energy: -30.144632 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -60.855735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.855735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.855735 (E_RNA) where: Base-Base interactions energy: -33.159 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.606 local terms energy: -27.089948 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -4.958 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: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -52.862206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.862206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.862206 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.002 local terms energy: -32.151609 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -6.751 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -60.011532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.011532 (E_RNA) where: Base-Base interactions energy: -30.392 where: short stacking energy: -22.665 Base-Backbone interact. energy: -0.000 local terms energy: -29.619777 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -7.150 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: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -49.480531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.480531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.480531 (E_RNA) where: Base-Base interactions energy: -25.850 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.073 local terms energy: -23.558173 where: bonds (distance) C4'-P energy: -4.374 bonds (distance) P-C4' energy: -4.107 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -57.936737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.936737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.936737 (E_RNA) where: Base-Base interactions energy: -30.126 where: short stacking energy: -22.342 Base-Backbone interact. energy: -0.023 local terms energy: -27.788360 where: bonds (distance) C4'-P energy: -4.958 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -3.506 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: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -45.742904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.742904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.742904 (E_RNA) where: Base-Base interactions energy: -17.625 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.148 local terms energy: -27.970439 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.946 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: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -41.527328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.527328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.527328 (E_RNA) where: Base-Base interactions energy: -12.317 where: short stacking energy: -12.317 Base-Backbone interact. energy: -0.014 local terms energy: -29.195875 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.778 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: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -40.286783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.286783 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.000 local terms energy: -27.098621 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.974 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: 67 Temperature: 1.350000 Total energy: -44.712920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.712920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.712920 (E_RNA) where: Base-Base interactions energy: -11.326 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.142 local terms energy: -33.245078 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -6.302 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: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -85.584108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.584108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.584108 (E_RNA) where: Base-Base interactions energy: -48.252 where: short stacking energy: -26.783 Base-Backbone interact. energy: -0.004 local terms energy: -37.329053 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -66.815373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.815373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.815373 (E_RNA) where: Base-Base interactions energy: -32.512 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.001 local terms energy: -34.302432 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -55.147301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.147301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.147301 (E_RNA) where: Base-Base interactions energy: -21.470 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.001 local terms energy: -33.677059 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -6.364 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: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -56.551385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.551385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.551385 (E_RNA) where: Base-Base interactions energy: -24.559 where: short stacking energy: -22.300 Base-Backbone interact. energy: -0.005 local terms energy: -31.988195 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -52.501246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.501246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.501246 (E_RNA) where: Base-Base interactions energy: -19.646 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.005 local terms energy: -32.850891 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -50.467943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.467943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.467943 (E_RNA) where: Base-Base interactions energy: -19.369 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.009 local terms energy: -31.090478 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -46.296495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.296495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.296495 (E_RNA) where: Base-Base interactions energy: -21.221 where: short stacking energy: -13.753 Base-Backbone interact. energy: -0.080 local terms energy: -24.995702 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -1.147 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -45.861228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.861228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.861228 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -16.424 Base-Backbone interact. energy: -0.017 local terms energy: -29.420418 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.876 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: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -49.106438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.106438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.106438 (E_RNA) where: Base-Base interactions energy: -19.191 where: short stacking energy: -19.191 Base-Backbone interact. energy: -0.000 local terms energy: -29.915549 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -49.289858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.289858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.289858 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -18.524 Base-Backbone interact. energy: -0.004 local terms energy: -29.304903 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -2.302 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: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -82.040378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.040378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.040378 (E_RNA) where: Base-Base interactions energy: -45.717 where: short stacking energy: -30.667 Base-Backbone interact. energy: -0.010 local terms energy: -36.312837 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -55.155291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.155291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.155291 (E_RNA) where: Base-Base interactions energy: -28.504 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.002 local terms energy: -26.649272 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.110 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: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -53.775815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.775815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.775815 (E_RNA) where: Base-Base interactions energy: -19.613 where: short stacking energy: -19.398 Base-Backbone interact. energy: -0.366 local terms energy: -33.796414 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -51.525268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.525268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.525268 (E_RNA) where: Base-Base interactions energy: -24.194 where: short stacking energy: -23.123 Base-Backbone interact. energy: -0.006 local terms energy: -27.324822 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -3.527 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: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -52.902069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.902069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.902069 (E_RNA) where: Base-Base interactions energy: -19.863 where: short stacking energy: -19.863 Base-Backbone interact. energy: -0.015 local terms energy: -33.024343 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.951 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: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -58.902107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.902107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.902107 (E_RNA) where: Base-Base interactions energy: -27.835 where: short stacking energy: -20.470 Base-Backbone interact. energy: 0.400 local terms energy: -31.467171 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -50.753670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.753670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.753670 (E_RNA) where: Base-Base interactions energy: -24.750 where: short stacking energy: -24.750 Base-Backbone interact. energy: -0.017 local terms energy: -25.986390 where: bonds (distance) C4'-P energy: -4.528 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -3.266 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: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -44.949887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.949887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.949887 (E_RNA) where: Base-Base interactions energy: -19.108 where: short stacking energy: -19.108 Base-Backbone interact. energy: -0.015 local terms energy: -25.827538 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.724 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: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -38.070708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.070708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.070708 (E_RNA) where: Base-Base interactions energy: -15.448 where: short stacking energy: -15.448 Base-Backbone interact. energy: -0.834 local terms energy: -21.788564 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -2.333 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: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -41.390873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390873 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.290 Base-Backbone interact. energy: -0.013 local terms energy: -25.036448 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.252 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: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -87.148640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.148640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.148640 (E_RNA) where: Base-Base interactions energy: -51.754 where: short stacking energy: -30.270 Base-Backbone interact. energy: -0.003 local terms energy: -35.392157 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -62.734109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.734109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.734109 (E_RNA) where: Base-Base interactions energy: -26.220 where: short stacking energy: -21.881 Base-Backbone interact. energy: -0.013 local terms energy: -36.500609 where: bonds (distance) C4'-P energy: -5.917 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -7.455 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: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -62.543862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.543862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.543862 (E_RNA) where: Base-Base interactions energy: -32.651 where: short stacking energy: -17.047 Base-Backbone interact. energy: -0.012 local terms energy: -29.881349 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -4.889 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: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -53.783126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.783126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.783126 (E_RNA) where: Base-Base interactions energy: -21.404 where: short stacking energy: -21.404 Base-Backbone interact. energy: -0.001 local terms energy: -32.377911 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -5.643 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: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -46.389928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.389928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.389928 (E_RNA) where: Base-Base interactions energy: -22.823 where: short stacking energy: -18.827 Base-Backbone interact. energy: -0.529 local terms energy: -23.037963 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -5.232 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -5.211 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: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -45.475459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.475459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.475459 (E_RNA) where: Base-Base interactions energy: -14.277 where: short stacking energy: -11.355 Base-Backbone interact. energy: -0.107 local terms energy: -31.090796 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -4.070 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: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -53.192526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.192526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.192526 (E_RNA) where: Base-Base interactions energy: -19.564 where: short stacking energy: -19.564 Base-Backbone interact. energy: -0.086 local terms energy: -33.543030 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -44.337582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.337582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.337582 (E_RNA) where: Base-Base interactions energy: -17.730 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.071 local terms energy: -26.536898 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -45.775754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.775754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.775754 (E_RNA) where: Base-Base interactions energy: -16.610 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.003 local terms energy: -29.162955 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: 2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -48.625538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.625538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.625538 (E_RNA) where: Base-Base interactions energy: -22.725 where: short stacking energy: -19.685 Base-Backbone interact. energy: -0.002 local terms energy: -25.899080 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.164 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -78.515925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.515925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.515925 (E_RNA) where: Base-Base interactions energy: -46.906 where: short stacking energy: -31.132 Base-Backbone interact. energy: -0.001 local terms energy: -31.608328 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -85.447964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.447964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.447964 (E_RNA) where: Base-Base interactions energy: -49.913 where: short stacking energy: -31.671 Base-Backbone interact. energy: 0.551 local terms energy: -36.086242 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -54.941031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.941031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.941031 (E_RNA) where: Base-Base interactions energy: -23.689 where: short stacking energy: -20.870 Base-Backbone interact. energy: -0.358 local terms energy: -30.893703 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -51.590307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.590307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.590307 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.007 local terms energy: -33.230661 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -51.940483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.940483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.940483 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.054 local terms energy: -30.155245 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -54.099005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.099005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.099005 (E_RNA) where: Base-Base interactions energy: -21.082 where: short stacking energy: -21.082 Base-Backbone interact. energy: -0.004 local terms energy: -33.012795 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -54.180794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.180794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.180794 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.550 local terms energy: -33.328441 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -3.707 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: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -44.894451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.894451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.894451 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.023 local terms energy: -29.770881 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -50.102395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.102395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.102395 (E_RNA) where: Base-Base interactions energy: -18.586 where: short stacking energy: -18.586 Base-Backbone interact. energy: -0.003 local terms energy: -31.513427 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -47.814564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.814564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.814564 (E_RNA) where: Base-Base interactions energy: -17.277 where: short stacking energy: -17.277 Base-Backbone interact. energy: -0.045 local terms energy: -30.492756 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.558 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: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -83.971064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.971064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.971064 (E_RNA) where: Base-Base interactions energy: -45.272 where: short stacking energy: -31.991 Base-Backbone interact. energy: -0.000 local terms energy: -38.699132 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -75.098305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.098305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.098305 (E_RNA) where: Base-Base interactions energy: -44.488 where: short stacking energy: -25.619 Base-Backbone interact. energy: 2.996 local terms energy: -33.606075 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.734 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: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -63.385896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.385896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.385896 (E_RNA) where: Base-Base interactions energy: -26.642 where: short stacking energy: -26.642 Base-Backbone interact. energy: 0.701 local terms energy: -37.444881 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -5.737 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: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -56.847022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.847022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.847022 (E_RNA) where: Base-Base interactions energy: -29.267 where: short stacking energy: -13.149 Base-Backbone interact. energy: 0.921 local terms energy: -28.501184 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -53.914621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.914621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.914621 (E_RNA) where: Base-Base interactions energy: -22.971 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.007 local terms energy: -30.936249 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.225 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -4.079 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: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -47.105863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.105863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.105863 (E_RNA) where: Base-Base interactions energy: -15.602 where: short stacking energy: -15.573 Base-Backbone interact. energy: -0.008 local terms energy: -31.495625 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -48.237706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.237706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.237706 (E_RNA) where: Base-Base interactions energy: -20.561 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.008 local terms energy: -27.668785 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.036 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: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -44.821624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.821624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.821624 (E_RNA) where: Base-Base interactions energy: -20.972 where: short stacking energy: -17.875 Base-Backbone interact. energy: -0.021 local terms energy: -23.828880 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -4.331 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: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -43.458945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.458945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.458945 (E_RNA) where: Base-Base interactions energy: -18.732 where: short stacking energy: -18.732 Base-Backbone interact. energy: -0.156 local terms energy: -24.570793 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -2.503 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -5.276 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: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -41.859594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.859594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.859594 (E_RNA) where: Base-Base interactions energy: -11.657 where: short stacking energy: -11.441 Base-Backbone interact. energy: -0.020 local terms energy: -30.182395 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -9.432 flat angles P-C4'-P energy: -5.751 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: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -83.645541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.645541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.645541 (E_RNA) where: Base-Base interactions energy: -44.850 where: short stacking energy: -25.232 Base-Backbone interact. energy: -0.003 local terms energy: -38.792589 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -6.800 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: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -59.824232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.824232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.824232 (E_RNA) where: Base-Base interactions energy: -31.133 where: short stacking energy: -21.562 Base-Backbone interact. energy: -1.033 local terms energy: -27.658944 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -2.317 flat angles P-C4'-P energy: -7.800 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: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -59.511582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.511582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.511582 (E_RNA) where: Base-Base interactions energy: -25.112 where: short stacking energy: -25.112 Base-Backbone interact. energy: -0.000 local terms energy: -34.399893 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -65.183619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.183619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.183619 (E_RNA) where: Base-Base interactions energy: -28.901 where: short stacking energy: -28.901 Base-Backbone interact. energy: -0.020 local terms energy: -36.262483 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -8.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -52.817789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.817789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.817789 (E_RNA) where: Base-Base interactions energy: -26.942 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.583 local terms energy: -25.292719 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -6.462 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -46.841976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.841976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.841976 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.010 local terms energy: -31.089832 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -46.517405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.517405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.517405 (E_RNA) where: Base-Base interactions energy: -18.304 where: short stacking energy: -18.304 Base-Backbone interact. energy: -0.001 local terms energy: -28.212405 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -5.062 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: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -53.484889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.484889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.484889 (E_RNA) where: Base-Base interactions energy: -24.423 where: short stacking energy: -19.004 Base-Backbone interact. energy: -0.010 local terms energy: -29.052234 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -6.235 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: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -43.156297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156297 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -13.136 Base-Backbone interact. energy: -0.105 local terms energy: -29.915531 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -1.443 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: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -44.404774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.404774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.404774 (E_RNA) where: Base-Base interactions energy: -19.505 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.020 local terms energy: -24.879690 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -2.390 flat angles P-C4'-P energy: -4.922 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: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -65.646620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.646620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.646620 (E_RNA) where: Base-Base interactions energy: -28.656 where: short stacking energy: -28.656 Base-Backbone interact. energy: -0.002 local terms energy: -36.988404 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -74.945807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.945807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.945807 (E_RNA) where: Base-Base interactions energy: -38.570 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.007 local terms energy: -36.368616 where: bonds (distance) C4'-P energy: -8.838 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -58.289707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.289707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.289707 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.002 local terms energy: -31.477139 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -60.004634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.004634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.004634 (E_RNA) where: Base-Base interactions energy: -28.705 where: short stacking energy: -28.705 Base-Backbone interact. energy: -0.078 local terms energy: -31.221306 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -5.271 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -4.434 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: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -47.564888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.564888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.564888 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.000 local terms energy: -34.354743 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.613 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: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -50.621708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.621708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.621708 (E_RNA) where: Base-Base interactions energy: -27.110 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.006 local terms energy: -23.505471 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -1.600 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: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -59.518807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.518807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.518807 (E_RNA) where: Base-Base interactions energy: -35.160 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.194 local terms energy: -24.165305 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: 0.928 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: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -48.988486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.988486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.988486 (E_RNA) where: Base-Base interactions energy: -16.122 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.000 local terms energy: -32.866792 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -5.696 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: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -43.771599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.771599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.771599 (E_RNA) where: Base-Base interactions energy: -18.998 where: short stacking energy: -14.575 Base-Backbone interact. energy: -0.067 local terms energy: -24.706878 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -5.275 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -1.878 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: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -40.076456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.076456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.076456 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.120 local terms energy: -28.335272 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -70.408396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.408396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.408396 (E_RNA) where: Base-Base interactions energy: -33.204 where: short stacking energy: -30.104 Base-Backbone interact. energy: -0.002 local terms energy: -37.202480 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -67.735942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.735942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.735942 (E_RNA) where: Base-Base interactions energy: -36.087 where: short stacking energy: -27.283 Base-Backbone interact. energy: -0.008 local terms energy: -31.640984 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -3.801 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: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -67.791185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.791185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.791185 (E_RNA) where: Base-Base interactions energy: -33.180 where: short stacking energy: -16.261 Base-Backbone interact. energy: -0.065 local terms energy: -34.546707 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -5.813 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -55.073793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.073793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.073793 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -21.711 Base-Backbone interact. energy: -0.019 local terms energy: -33.344751 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -2.218 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -53.465081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.465081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.465081 (E_RNA) where: Base-Base interactions energy: -26.937 where: short stacking energy: -16.043 Base-Backbone interact. energy: -0.003 local terms energy: -26.525523 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -55.045685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.045685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.045685 (E_RNA) where: Base-Base interactions energy: -29.149 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.135 local terms energy: -25.761212 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.450 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -2.685 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: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -47.891396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.891396 (E_RNA) where: Base-Base interactions energy: -18.429 where: short stacking energy: -18.429 Base-Backbone interact. energy: -0.001 local terms energy: -29.461254 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -5.293 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: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -41.724504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.724504 (E_RNA) where: Base-Base interactions energy: -20.112 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.101 local terms energy: -21.511437 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -3.023 flat angles P-C4'-P energy: -3.861 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: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -40.516510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.516510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.516510 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.002 local terms energy: -28.748825 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -45.777383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.777383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.777383 (E_RNA) where: Base-Base interactions energy: -19.405 where: short stacking energy: -19.405 Base-Backbone interact. energy: -0.010 local terms energy: -26.362044 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -74.095996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.095996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.095996 (E_RNA) where: Base-Base interactions energy: -33.308 where: short stacking energy: -33.308 Base-Backbone interact. energy: -0.000 local terms energy: -40.787597 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -11.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -55.574505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.574505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.574505 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -15.655 Base-Backbone interact. energy: -0.036 local terms energy: -33.819675 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -60.222100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.222100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.222100 (E_RNA) where: Base-Base interactions energy: -26.491 where: short stacking energy: -23.669 Base-Backbone interact. energy: -0.221 local terms energy: -33.510298 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -54.588067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.588067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.588067 (E_RNA) where: Base-Base interactions energy: -21.804 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.644 local terms energy: -32.139908 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -52.702182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.702182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.702182 (E_RNA) where: Base-Base interactions energy: -21.228 where: short stacking energy: -14.444 Base-Backbone interact. energy: -0.624 local terms energy: -30.850187 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -48.052516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.052516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.052516 (E_RNA) where: Base-Base interactions energy: -19.861 where: short stacking energy: -16.834 Base-Backbone interact. energy: 0.169 local terms energy: -28.360596 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -43.958678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.958678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.958678 (E_RNA) where: Base-Base interactions energy: -16.629 where: short stacking energy: -16.629 Base-Backbone interact. energy: -0.107 local terms energy: -27.222929 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.245 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: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -43.877701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.877701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.877701 (E_RNA) where: Base-Base interactions energy: -15.558 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.182 local terms energy: -28.137494 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -41.339350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.339350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.339350 (E_RNA) where: Base-Base interactions energy: -16.237 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.229 local terms energy: -24.873395 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -3.502 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: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -42.961498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.961498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.961498 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.022 local terms energy: -26.723996 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: 0.119 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: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -84.911164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.911164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.911164 (E_RNA) where: Base-Base interactions energy: -46.845 where: short stacking energy: -32.112 Base-Backbone interact. energy: -0.002 local terms energy: -38.063781 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -65.870101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.870101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.870101 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -28.975 Base-Backbone interact. energy: -0.000 local terms energy: -36.895524 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -58.673999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.673999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.673999 (E_RNA) where: Base-Base interactions energy: -26.392 where: short stacking energy: -25.763 Base-Backbone interact. energy: -0.009 local terms energy: -32.272978 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.092 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: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -51.947116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.947116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.947116 (E_RNA) where: Base-Base interactions energy: -22.598 where: short stacking energy: -22.598 Base-Backbone interact. energy: -0.017 local terms energy: -29.331911 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -51.615682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.615682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.615682 (E_RNA) where: Base-Base interactions energy: -22.095 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.018 local terms energy: -29.503391 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -49.948545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.948545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.948545 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -22.030 Base-Backbone interact. energy: -0.396 local terms energy: -27.522154 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -2.047 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: 7, replica: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -55.188503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.188503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.188503 (E_RNA) where: Base-Base interactions energy: -24.407 where: short stacking energy: -24.407 Base-Backbone interact. energy: -0.003 local terms energy: -30.778465 where: bonds (distance) C4'-P energy: -4.218 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -48.887430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.887430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.887430 (E_RNA) where: Base-Base interactions energy: -19.041 where: short stacking energy: -12.568 Base-Backbone interact. energy: -0.010 local terms energy: -29.835747 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.196 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: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -47.157154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.157154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.157154 (E_RNA) where: Base-Base interactions energy: -16.022 where: short stacking energy: -16.022 Base-Backbone interact. energy: -0.049 local terms energy: -31.087029 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -5.384 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: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -43.528494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.528494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.528494 (E_RNA) where: Base-Base interactions energy: -17.383 where: short stacking energy: -17.383 Base-Backbone interact. energy: -0.008 local terms energy: -26.137360 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -2.771 flat angles P-C4'-P energy: -4.668 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: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -76.116069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.116069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.116069 (E_RNA) where: Base-Base interactions energy: -47.027 where: short stacking energy: -23.745 Base-Backbone interact. energy: 1.107 local terms energy: -30.195421 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -4.319 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: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -64.687759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.687759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.687759 (E_RNA) where: Base-Base interactions energy: -29.679 where: short stacking energy: -29.679 Base-Backbone interact. energy: -0.070 local terms energy: -34.938137 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -60.964082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.964082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.964082 (E_RNA) where: Base-Base interactions energy: -23.810 where: short stacking energy: -18.279 Base-Backbone interact. energy: -0.002 local terms energy: -37.152482 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -52.712863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.712863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.712863 (E_RNA) where: Base-Base interactions energy: -20.329 where: short stacking energy: -20.329 Base-Backbone interact. energy: -0.511 local terms energy: -31.872895 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -53.694751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.694751 (E_RNA) where: Base-Base interactions energy: -23.314 where: short stacking energy: -23.314 Base-Backbone interact. energy: -0.047 local terms energy: -30.333536 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -44.843844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.843844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.843844 (E_RNA) where: Base-Base interactions energy: -16.129 where: short stacking energy: -16.129 Base-Backbone interact. energy: -0.004 local terms energy: -28.710796 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -61.438066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.438066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.438066 (E_RNA) where: Base-Base interactions energy: -30.456 where: short stacking energy: -20.912 Base-Backbone interact. energy: -0.123 local terms energy: -30.858973 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -43.256761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.256761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.256761 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.009 local terms energy: -31.706735 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -40.138840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.138840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.138840 (E_RNA) where: Base-Base interactions energy: -12.429 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.111 local terms energy: -27.598981 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -42.845618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.845618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.845618 (E_RNA) where: Base-Base interactions energy: -13.169 where: short stacking energy: -13.169 Base-Backbone interact. energy: -0.042 local terms energy: -29.634413 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -78.114723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.114723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.114723 (E_RNA) where: Base-Base interactions energy: -39.912 where: short stacking energy: -22.069 Base-Backbone interact. energy: -2.293 local terms energy: -35.909326 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -6.796 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -59.394495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.394495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.394495 (E_RNA) where: Base-Base interactions energy: -24.722 where: short stacking energy: -24.722 Base-Backbone interact. energy: -0.009 local terms energy: -34.664063 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -56.392535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.392535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.392535 (E_RNA) where: Base-Base interactions energy: -29.834 where: short stacking energy: -18.236 Base-Backbone interact. energy: -0.189 local terms energy: -26.369054 where: bonds (distance) C4'-P energy: -4.492 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -47.528147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.528147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.528147 (E_RNA) where: Base-Base interactions energy: -16.248 where: short stacking energy: -16.248 Base-Backbone interact. energy: -0.024 local terms energy: -31.256181 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -5.647 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: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -55.455460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.455460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.455460 (E_RNA) where: Base-Base interactions energy: -20.318 where: short stacking energy: -20.318 Base-Backbone interact. energy: -0.079 local terms energy: -35.058245 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.523 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: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -47.312338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.312338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.312338 (E_RNA) where: Base-Base interactions energy: -18.697 where: short stacking energy: -18.543 Base-Backbone interact. energy: -0.132 local terms energy: -28.482785 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -48.133218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.133218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.133218 (E_RNA) where: Base-Base interactions energy: -19.124 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.005 local terms energy: -29.004306 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.175 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: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -45.559070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.559070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.559070 (E_RNA) where: Base-Base interactions energy: -19.248 where: short stacking energy: -11.191 Base-Backbone interact. energy: -0.063 local terms energy: -26.248359 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -6.864 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -55.579151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.579151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.579151 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -22.631 Base-Backbone interact. energy: -0.002 local terms energy: -32.556111 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -46.227162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.227162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.227162 (E_RNA) where: Base-Base interactions energy: -15.497 where: short stacking energy: -14.744 Base-Backbone interact. energy: -0.092 local terms energy: -30.639063 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: -4.736 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: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -82.105502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.105502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.105502 (E_RNA) where: Base-Base interactions energy: -43.599 where: short stacking energy: -25.183 Base-Backbone interact. energy: -0.005 local terms energy: -38.501867 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -7.744 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: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -65.265461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.265461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.265461 (E_RNA) where: Base-Base interactions energy: -30.764 where: short stacking energy: -30.764 Base-Backbone interact. energy: -0.000 local terms energy: -34.501087 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -62.485757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.485757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.485757 (E_RNA) where: Base-Base interactions energy: -28.471 where: short stacking energy: -28.471 Base-Backbone interact. energy: -0.000 local terms energy: -34.015048 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -7.577 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -58.727247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.727247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.727247 (E_RNA) where: Base-Base interactions energy: -26.607 where: short stacking energy: -26.607 Base-Backbone interact. energy: -0.048 local terms energy: -32.072518 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.492 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -49.836235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.836235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.836235 (E_RNA) where: Base-Base interactions energy: -19.877 where: short stacking energy: -19.877 Base-Backbone interact. energy: -0.053 local terms energy: -29.905919 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -56.003700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.003700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.003700 (E_RNA) where: Base-Base interactions energy: -27.583 where: short stacking energy: -22.912 Base-Backbone interact. energy: -1.793 local terms energy: -26.627530 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -4.231 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: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -45.881491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.881491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.881491 (E_RNA) where: Base-Base interactions energy: -20.371 where: short stacking energy: -17.051 Base-Backbone interact. energy: -0.140 local terms energy: -25.371350 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: 1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -44.546947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.546947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.546947 (E_RNA) where: Base-Base interactions energy: -16.974 where: short stacking energy: -16.974 Base-Backbone interact. energy: -0.001 local terms energy: -27.572012 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: 0.202 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: 9, replica: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -44.134379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134379 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.367 Base-Backbone interact. energy: -0.001 local terms energy: -29.766151 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -48.286331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.286331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.286331 (E_RNA) where: Base-Base interactions energy: -22.972 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.016 local terms energy: -25.298682 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: 0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -82.730740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.730740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.730740 (E_RNA) where: Base-Base interactions energy: -48.872 where: short stacking energy: -30.253 Base-Backbone interact. energy: -0.001 local terms energy: -33.857647 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -58.098485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.098485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.098485 (E_RNA) where: Base-Base interactions energy: -28.029 where: short stacking energy: -28.029 Base-Backbone interact. energy: -0.009 local terms energy: -30.060237 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -71.785866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.785866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.785866 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -35.068 Base-Backbone interact. energy: -0.000 local terms energy: -36.718139 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -10.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -53.240247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.240247 (E_RNA) where: Base-Base interactions energy: -18.669 where: short stacking energy: -17.738 Base-Backbone interact. energy: -0.007 local terms energy: -34.564017 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -4.912 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: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -48.756771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.756771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.756771 (E_RNA) where: Base-Base interactions energy: -19.104 where: short stacking energy: -19.104 Base-Backbone interact. energy: -0.240 local terms energy: -29.413232 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -1.719 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: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -53.270608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.270608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.270608 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.000 local terms energy: -32.562461 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -50.983026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.983026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.983026 (E_RNA) where: Base-Base interactions energy: -21.540 where: short stacking energy: -20.380 Base-Backbone interact. energy: -0.042 local terms energy: -29.400534 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -49.682618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.682618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.682618 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -16.779 Base-Backbone interact. energy: -0.013 local terms energy: -32.890760 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -45.962126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.962126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.962126 (E_RNA) where: Base-Base interactions energy: -21.128 where: short stacking energy: -16.289 Base-Backbone interact. energy: -0.065 local terms energy: -24.769204 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -2.083 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -38.821151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.821151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.821151 (E_RNA) where: Base-Base interactions energy: -14.005 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.022 local terms energy: -24.794700 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -64.668347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.668347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.668347 (E_RNA) where: Base-Base interactions energy: -29.342 where: short stacking energy: -21.846 Base-Backbone interact. energy: -0.043 local terms energy: -35.282890 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.868 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -5.200 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: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -61.647463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.647463 (E_RNA) where: Base-Base interactions energy: -26.073 where: short stacking energy: -26.073 Base-Backbone interact. energy: -0.006 local terms energy: -35.567874 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -57.499085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.499085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.499085 (E_RNA) where: Base-Base interactions energy: -20.787 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.000 local terms energy: -36.711532 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -8.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -56.465999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.465999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.465999 (E_RNA) where: Base-Base interactions energy: -23.997 where: short stacking energy: -16.386 Base-Backbone interact. energy: -0.179 local terms energy: -32.289716 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -6.871 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -51.487851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.487851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.487851 (E_RNA) where: Base-Base interactions energy: -19.887 where: short stacking energy: -19.887 Base-Backbone interact. energy: -0.001 local terms energy: -31.600228 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.674 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: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -46.365475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.365475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.365475 (E_RNA) where: Base-Base interactions energy: -19.694 where: short stacking energy: -19.694 Base-Backbone interact. energy: -0.079 local terms energy: -26.592224 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -5.132 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: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -45.186081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.186081 (E_RNA) where: Base-Base interactions energy: -19.023 where: short stacking energy: -19.923 Base-Backbone interact. energy: -0.045 local terms energy: -26.117965 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: 0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -52.049572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.049572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.049572 (E_RNA) where: Base-Base interactions energy: -23.094 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.070 local terms energy: -28.885864 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -38.416102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.416102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.416102 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: -0.007 local terms energy: -26.121230 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: 0.146 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: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -40.355036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.355036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.355036 (E_RNA) where: Base-Base interactions energy: -16.761 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.295 local terms energy: -23.298958 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -70.971634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.971634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.971634 (E_RNA) where: Base-Base interactions energy: -32.900 where: short stacking energy: -32.114 Base-Backbone interact. energy: -0.000 local terms energy: -38.071258 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -11.020 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: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -57.650811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.650811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.650811 (E_RNA) where: Base-Base interactions energy: -24.479 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.040 local terms energy: -33.131634 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.941 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: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -46.673519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.673519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.673519 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.380 Base-Backbone interact. energy: -0.327 local terms energy: -31.967116 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -5.075 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: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -61.332271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.332271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.332271 (E_RNA) where: Base-Base interactions energy: -25.612 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.000 local terms energy: -35.720524 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -49.426432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.426432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.426432 (E_RNA) where: Base-Base interactions energy: -17.081 where: short stacking energy: -17.081 Base-Backbone interact. energy: -0.029 local terms energy: -32.315496 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -47.782436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.782436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.782436 (E_RNA) where: Base-Base interactions energy: -18.446 where: short stacking energy: -18.446 Base-Backbone interact. energy: -0.003 local terms energy: -29.333591 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -2.752 flat angles P-C4'-P energy: -6.519 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: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -54.838755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.838755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.838755 (E_RNA) where: Base-Base interactions energy: -23.037 where: short stacking energy: -19.281 Base-Backbone interact. energy: -0.000 local terms energy: -31.801382 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -43.104192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.104192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.104192 (E_RNA) where: Base-Base interactions energy: -15.523 where: short stacking energy: -15.523 Base-Backbone interact. energy: -0.000 local terms energy: -27.580697 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -5.547 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: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -46.394747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.394747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.394747 (E_RNA) where: Base-Base interactions energy: -23.257 where: short stacking energy: -12.129 Base-Backbone interact. energy: -0.037 local terms energy: -23.101398 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -2.355 flat angles P-C4'-P energy: -5.093 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: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -41.366786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.366786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.366786 (E_RNA) where: Base-Base interactions energy: -19.626 where: short stacking energy: -9.366 Base-Backbone interact. energy: -0.010 local terms energy: -21.730613 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -2.330 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: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -62.595546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.595546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.595546 (E_RNA) where: Base-Base interactions energy: -27.539 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.000 local terms energy: -35.056516 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -8.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -69.710428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.710428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.710428 (E_RNA) where: Base-Base interactions energy: -29.940 where: short stacking energy: -29.940 Base-Backbone interact. energy: -0.000 local terms energy: -39.770780 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -7.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -59.827674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.827674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.827674 (E_RNA) where: Base-Base interactions energy: -26.870 where: short stacking energy: -26.870 Base-Backbone interact. energy: -0.000 local terms energy: -32.957178 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -55.352761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.352761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.352761 (E_RNA) where: Base-Base interactions energy: -21.347 where: short stacking energy: -20.634 Base-Backbone interact. energy: -0.004 local terms energy: -34.001637 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -6.625 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: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -52.581024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.581024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.581024 (E_RNA) where: Base-Base interactions energy: -23.455 where: short stacking energy: -23.455 Base-Backbone interact. energy: -0.105 local terms energy: -29.020808 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -47.824943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.824943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.824943 (E_RNA) where: Base-Base interactions energy: -16.677 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.023 local terms energy: -31.124483 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -6.053 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: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -42.076808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.076808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.076808 (E_RNA) where: Base-Base interactions energy: -16.820 where: short stacking energy: -15.669 Base-Backbone interact. energy: 1.107 local terms energy: -26.363590 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.997 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -43.421175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.421175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.421175 (E_RNA) where: Base-Base interactions energy: -16.714 where: short stacking energy: -16.714 Base-Backbone interact. energy: -0.002 local terms energy: -26.704471 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -44.134587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134587 (E_RNA) where: Base-Base interactions energy: -19.807 where: short stacking energy: -19.421 Base-Backbone interact. energy: 0.467 local terms energy: -24.795279 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -6.063 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: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -44.434562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.434562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.434562 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.001 local terms energy: -29.490709 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -60.653472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.653472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.653472 (E_RNA) where: Base-Base interactions energy: -25.786 where: short stacking energy: -17.195 Base-Backbone interact. energy: -0.001 local terms energy: -34.866580 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -6.278 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: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -65.368117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.368117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.368117 (E_RNA) where: Base-Base interactions energy: -29.329 where: short stacking energy: -29.329 Base-Backbone interact. energy: -0.000 local terms energy: -36.039423 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -61.711514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.711514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.711514 (E_RNA) where: Base-Base interactions energy: -27.291 where: short stacking energy: -27.291 Base-Backbone interact. energy: -0.000 local terms energy: -34.420454 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -63.237678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.237678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.237678 (E_RNA) where: Base-Base interactions energy: -29.146 where: short stacking energy: -19.948 Base-Backbone interact. energy: 1.027 local terms energy: -35.118714 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -5.758 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: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -51.524246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.524246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.524246 (E_RNA) where: Base-Base interactions energy: -21.028 where: short stacking energy: -21.028 Base-Backbone interact. energy: -0.081 local terms energy: -30.414368 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.286 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: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -48.016260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.016260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.016260 (E_RNA) where: Base-Base interactions energy: -22.712 where: short stacking energy: -22.712 Base-Backbone interact. energy: -0.014 local terms energy: -25.290230 where: bonds (distance) C4'-P energy: -2.488 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -3.315 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: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -46.158057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.158057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.158057 (E_RNA) where: Base-Base interactions energy: -23.600 where: short stacking energy: -22.718 Base-Backbone interact. energy: -0.003 local terms energy: -22.554908 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -46.921541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.921541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.921541 (E_RNA) where: Base-Base interactions energy: -19.933 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.754 local terms energy: -26.233736 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -3.635 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: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -40.982289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.982289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.982289 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -8.622 Base-Backbone interact. energy: -1.385 local terms energy: -25.182775 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -4.797 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -38.084639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.084639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.084639 (E_RNA) where: Base-Base interactions energy: -12.930 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.166 local terms energy: -24.988080 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -5.562 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: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -65.569923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.569923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.569923 (E_RNA) where: Base-Base interactions energy: -29.165 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.435 local terms energy: -35.970073 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -65.039040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.039040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.039040 (E_RNA) where: Base-Base interactions energy: -34.255 where: short stacking energy: -26.498 Base-Backbone interact. energy: -0.074 local terms energy: -30.710607 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -60.803490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.803490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.803490 (E_RNA) where: Base-Base interactions energy: -30.136 where: short stacking energy: -23.777 Base-Backbone interact. energy: -0.041 local terms energy: -30.626166 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -2.764 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: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -56.043503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.043503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.043503 (E_RNA) where: Base-Base interactions energy: -19.386 where: short stacking energy: -19.386 Base-Backbone interact. energy: -0.100 local terms energy: -36.557603 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -52.475112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.475112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.475112 (E_RNA) where: Base-Base interactions energy: -25.875 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.122 local terms energy: -26.478813 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -4.585 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: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -54.156010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.156010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.156010 (E_RNA) where: Base-Base interactions energy: -26.873 where: short stacking energy: -14.794 Base-Backbone interact. energy: -1.133 local terms energy: -26.149995 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -2.808 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: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -44.495883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.495883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.495883 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -10.542 Base-Backbone interact. energy: -0.146 local terms energy: -30.666993 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -45.002142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.002142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.002142 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.031 local terms energy: -21.482927 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -5.020 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -2.783 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: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -41.332006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.332006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.332006 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.178 local terms energy: -27.560601 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -41.344189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.344189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.344189 (E_RNA) where: Base-Base interactions energy: -17.520 where: short stacking energy: -17.520 Base-Backbone interact. energy: -0.316 local terms energy: -23.508336 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -64.759214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.759214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.759214 (E_RNA) where: Base-Base interactions energy: -37.174 where: short stacking energy: -27.961 Base-Backbone interact. energy: -0.002 local terms energy: -27.583980 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -2.219 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: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -64.960487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.960487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.960487 (E_RNA) where: Base-Base interactions energy: -33.108 where: short stacking energy: -24.897 Base-Backbone interact. energy: -0.004 local terms energy: -31.848283 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.210 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -5.481 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: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -53.678268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.678268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.678268 (E_RNA) where: Base-Base interactions energy: -19.914 where: short stacking energy: -19.914 Base-Backbone interact. energy: -0.134 local terms energy: -33.630732 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.026 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: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -53.850176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.850176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.850176 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -20.949 Base-Backbone interact. energy: -0.098 local terms energy: -32.803835 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -4.663 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: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -56.656430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.656430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.656430 (E_RNA) where: Base-Base interactions energy: -20.430 where: short stacking energy: -20.430 Base-Backbone interact. energy: -0.100 local terms energy: -36.125961 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -62.701435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.701435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.701435 (E_RNA) where: Base-Base interactions energy: -29.401 where: short stacking energy: -17.647 Base-Backbone interact. energy: -0.078 local terms energy: -33.222404 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.869 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: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -56.935992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.935992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.935992 (E_RNA) where: Base-Base interactions energy: -24.596 where: short stacking energy: -24.596 Base-Backbone interact. energy: -0.000 local terms energy: -32.339507 where: bonds (distance) C4'-P energy: -3.741 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -6.886 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: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -39.341221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.341221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.341221 (E_RNA) where: Base-Base interactions energy: -15.243 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.085 local terms energy: -24.012795 where: bonds (distance) C4'-P energy: -5.344 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -6.388 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: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -52.057233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.057233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.057233 (E_RNA) where: Base-Base interactions energy: -16.776 where: short stacking energy: -16.776 Base-Backbone interact. energy: -0.000 local terms energy: -35.281384 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -35.927915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.927915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.927915 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.096 local terms energy: -24.149415 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -1.528 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -56.208588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.208588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.208588 (E_RNA) where: Base-Base interactions energy: -25.012 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.162 local terms energy: -31.034585 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -7.096 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: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -60.893843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.893843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.893843 (E_RNA) where: Base-Base interactions energy: -25.454 where: short stacking energy: -25.454 Base-Backbone interact. energy: -0.000 local terms energy: -35.439725 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -8.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -48.237461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.237461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.237461 (E_RNA) where: Base-Base interactions energy: -18.212 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.053 local terms energy: -29.972836 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.408 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -4.345 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: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -54.467246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.467246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.467246 (E_RNA) where: Base-Base interactions energy: -23.490 where: short stacking energy: -18.619 Base-Backbone interact. energy: -0.489 local terms energy: -30.488569 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -4.992 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -7.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -53.180680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.180680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.180680 (E_RNA) where: Base-Base interactions energy: -20.585 where: short stacking energy: -20.304 Base-Backbone interact. energy: -0.110 local terms energy: -32.485303 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -50.561196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.561196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.561196 (E_RNA) where: Base-Base interactions energy: -21.427 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.057 local terms energy: -29.076634 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.799 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -45.481528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.481528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.481528 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.000 local terms energy: -28.841137 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.973 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: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -41.101747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.101747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.101747 (E_RNA) where: Base-Base interactions energy: -13.829 where: short stacking energy: -12.925 Base-Backbone interact. energy: -0.100 local terms energy: -27.173244 where: bonds (distance) C4'-P energy: -0.770 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -37.242406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.242406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.242406 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.002 local terms energy: -28.769980 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.257 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: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -47.473819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.473819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.473819 (E_RNA) where: Base-Base interactions energy: -18.623 where: short stacking energy: -18.623 Base-Backbone interact. energy: -0.006 local terms energy: -28.845144 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -0.199 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: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -85.230004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.230004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.230004 (E_RNA) where: Base-Base interactions energy: -46.623 where: short stacking energy: -34.822 Base-Backbone interact. energy: -0.010 local terms energy: -38.596888 where: bonds (distance) C4'-P energy: -7.592 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -65.657853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.657853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.657853 (E_RNA) where: Base-Base interactions energy: -31.291 where: short stacking energy: -25.348 Base-Backbone interact. energy: -0.000 local terms energy: -34.366435 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -4.092 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: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -64.940149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.940149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.940149 (E_RNA) where: Base-Base interactions energy: -28.271 where: short stacking energy: -28.271 Base-Backbone interact. energy: -0.000 local terms energy: -36.669302 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -59.170715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.170715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.170715 (E_RNA) where: Base-Base interactions energy: -25.169 where: short stacking energy: -24.476 Base-Backbone interact. energy: -0.093 local terms energy: -33.908153 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -53.800968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.800968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.800968 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.064 local terms energy: -28.961476 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -4.221 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: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -50.308936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.308936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.308936 (E_RNA) where: Base-Base interactions energy: -18.893 where: short stacking energy: -11.657 Base-Backbone interact. energy: -0.130 local terms energy: -31.285887 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -47.527638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.527638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.527638 (E_RNA) where: Base-Base interactions energy: -18.661 where: short stacking energy: -7.179 Base-Backbone interact. energy: -0.077 local terms energy: -28.788997 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -44.051415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.051415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.051415 (E_RNA) where: Base-Base interactions energy: -15.942 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.013 local terms energy: -28.096444 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -39.537759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.537759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.537759 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -8.205 Base-Backbone interact. energy: -1.080 local terms energy: -29.412112 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -43.290931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290931 (E_RNA) where: Base-Base interactions energy: -16.682 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.000 local terms energy: -26.608728 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -75.060203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.060203 (E_RNA) where: Base-Base interactions energy: -34.642 where: short stacking energy: -32.780 Base-Backbone interact. energy: -0.000 local terms energy: -40.418033 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.731 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -8.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -66.279348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.279348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.279348 (E_RNA) where: Base-Base interactions energy: -33.793 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.943 local terms energy: -31.542964 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -62.062919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.062919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.062919 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -22.826 Base-Backbone interact. energy: -0.001 local terms energy: -34.819692 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -4.012 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: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -66.666868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.666868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.666868 (E_RNA) where: Base-Base interactions energy: -26.428 where: short stacking energy: -26.428 Base-Backbone interact. energy: -0.098 local terms energy: -40.140367 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -8.858 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: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -56.106893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.106893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.106893 (E_RNA) where: Base-Base interactions energy: -20.974 where: short stacking energy: -20.974 Base-Backbone interact. energy: -0.127 local terms energy: -35.006740 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -4.371 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: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -49.149268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149268 (E_RNA) where: Base-Base interactions energy: -19.254 where: short stacking energy: -19.254 Base-Backbone interact. energy: -0.034 local terms energy: -29.861464 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -44.327325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.327325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.327325 (E_RNA) where: Base-Base interactions energy: -13.300 where: short stacking energy: -11.166 Base-Backbone interact. energy: 0.276 local terms energy: -31.303681 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -39.809598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.809598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.809598 (E_RNA) where: Base-Base interactions energy: -15.204 where: short stacking energy: -15.204 Base-Backbone interact. energy: -0.026 local terms energy: -24.579095 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -48.576549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.576549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.576549 (E_RNA) where: Base-Base interactions energy: -18.757 where: short stacking energy: -16.227 Base-Backbone interact. energy: -0.403 local terms energy: -29.416431 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -4.804 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: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -39.733029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.733029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.733029 (E_RNA) where: Base-Base interactions energy: -12.904 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.183 local terms energy: -26.646703 where: bonds (distance) C4'-P energy: -4.898 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -0.004 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -74.351891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.351891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.351891 (E_RNA) where: Base-Base interactions energy: -38.394 where: short stacking energy: -27.515 Base-Backbone interact. energy: -0.007 local terms energy: -35.950886 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -51.147507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.147507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.147507 (E_RNA) where: Base-Base interactions energy: -16.742 where: short stacking energy: -16.742 Base-Backbone interact. energy: -0.423 local terms energy: -33.982926 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -7.182 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: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -62.619646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.619646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.619646 (E_RNA) where: Base-Base interactions energy: -32.304 where: short stacking energy: -16.168 Base-Backbone interact. energy: -0.123 local terms energy: -30.193214 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.716 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -67.562038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.562038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.562038 (E_RNA) where: Base-Base interactions energy: -32.378 where: short stacking energy: -20.818 Base-Backbone interact. energy: -0.029 local terms energy: -35.155444 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -7.123 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: 5, replica: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -42.745295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.745295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.745295 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.080 local terms energy: -28.387778 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -44.732788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.732788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.732788 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.066 local terms energy: -30.135266 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -6.591 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: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -42.203260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.203260 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.039 local terms energy: -28.921282 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -48.946734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.946734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.946734 (E_RNA) where: Base-Base interactions energy: -25.851 where: short stacking energy: -20.451 Base-Backbone interact. energy: -0.032 local terms energy: -23.063980 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: 2.041 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -41.566367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.566367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.566367 (E_RNA) where: Base-Base interactions energy: -13.565 where: short stacking energy: -13.565 Base-Backbone interact. energy: -0.180 local terms energy: -27.821370 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -5.272 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: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -49.333439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.333439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.333439 (E_RNA) where: Base-Base interactions energy: -22.064 where: short stacking energy: -22.064 Base-Backbone interact. energy: -0.000 local terms energy: -27.269608 where: bonds (distance) C4'-P energy: -3.824 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -78.996814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.996814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.996814 (E_RNA) where: Base-Base interactions energy: -45.854 where: short stacking energy: -29.066 Base-Backbone interact. energy: -2.577 local terms energy: -30.565669 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -59.111795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.111795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.111795 (E_RNA) where: Base-Base interactions energy: -28.005 where: short stacking energy: -24.134 Base-Backbone interact. energy: -0.001 local terms energy: -31.106104 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -67.108815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.108815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.108815 (E_RNA) where: Base-Base interactions energy: -38.034 where: short stacking energy: -19.731 Base-Backbone interact. energy: -0.623 local terms energy: -28.451293 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.305 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: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -58.127907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.127907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.127907 (E_RNA) where: Base-Base interactions energy: -26.858 where: short stacking energy: -19.160 Base-Backbone interact. energy: -0.007 local terms energy: -31.263353 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -56.810587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.810587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.810587 (E_RNA) where: Base-Base interactions energy: -22.773 where: short stacking energy: -22.773 Base-Backbone interact. energy: -0.134 local terms energy: -33.903684 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -8.276 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: 92 Temperature: 1.150000 Total energy: -56.862904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.862904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.862904 (E_RNA) where: Base-Base interactions energy: -24.012 where: short stacking energy: -24.012 Base-Backbone interact. energy: -0.022 local terms energy: -32.828879 where: bonds (distance) C4'-P energy: -3.469 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -53.679575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.679575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.679575 (E_RNA) where: Base-Base interactions energy: -25.308 where: short stacking energy: -23.604 Base-Backbone interact. energy: -0.002 local terms energy: -28.370087 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -0.498 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -44.042999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.042999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.042999 (E_RNA) where: Base-Base interactions energy: -17.515 where: short stacking energy: -16.088 Base-Backbone interact. energy: -0.241 local terms energy: -26.287171 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -48.613701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.613701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.613701 (E_RNA) where: Base-Base interactions energy: -18.930 where: short stacking energy: -18.930 Base-Backbone interact. energy: -0.194 local terms energy: -29.489077 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -7.193 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: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -41.051608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.051608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.051608 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.016 local terms energy: -28.929045 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -68.590095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.590095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.590095 (E_RNA) where: Base-Base interactions energy: -27.819 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.000 local terms energy: -40.771187 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -10.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -63.406497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.406497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.406497 (E_RNA) where: Base-Base interactions energy: -30.048 where: short stacking energy: -30.048 Base-Backbone interact. energy: -0.008 local terms energy: -33.350321 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -51.787101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.787101 (E_RNA) where: Base-Base interactions energy: -21.056 where: short stacking energy: -21.056 Base-Backbone interact. energy: -0.110 local terms energy: -30.621521 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -6.113 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: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -59.270676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.270676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.270676 (E_RNA) where: Base-Base interactions energy: -24.981 where: short stacking energy: -24.981 Base-Backbone interact. energy: -0.001 local terms energy: -34.289044 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -51.789369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.789369 (E_RNA) where: Base-Base interactions energy: -17.366 where: short stacking energy: -17.366 Base-Backbone interact. energy: -0.003 local terms energy: -34.420335 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -4.922 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: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -50.350896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.350896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.350896 (E_RNA) where: Base-Base interactions energy: -24.908 where: short stacking energy: -9.911 Base-Backbone interact. energy: 0.207 local terms energy: -25.649845 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -51.530797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.530797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.530797 (E_RNA) where: Base-Base interactions energy: -22.976 where: short stacking energy: -14.845 Base-Backbone interact. energy: -0.004 local terms energy: -28.550616 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -54.404649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.404649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.404649 (E_RNA) where: Base-Base interactions energy: -20.075 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.074 local terms energy: -34.255585 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -48.434132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.434132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.434132 (E_RNA) where: Base-Base interactions energy: -14.402 where: short stacking energy: -14.784 Base-Backbone interact. energy: -0.186 local terms energy: -33.846156 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -6.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -44.471637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.471637 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -17.157 Base-Backbone interact. energy: 0.849 local terms energy: -28.164052 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -76.242607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.242607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.242607 (E_RNA) where: Base-Base interactions energy: -37.050 where: short stacking energy: -30.101 Base-Backbone interact. energy: -0.000 local terms energy: -39.192236 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -10.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -76.534194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.534194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.534194 (E_RNA) where: Base-Base interactions energy: -33.984 where: short stacking energy: -33.984 Base-Backbone interact. energy: -0.000 local terms energy: -42.550546 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -10.732 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: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -63.610056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.610056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.610056 (E_RNA) where: Base-Base interactions energy: -26.011 where: short stacking energy: -26.011 Base-Backbone interact. energy: -0.000 local terms energy: -37.598908 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -50.513579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.513579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.513579 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -19.494 Base-Backbone interact. energy: 0.018 local terms energy: -30.071849 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -3.725 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: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -63.553293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.553293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.553293 (E_RNA) where: Base-Base interactions energy: -31.954 where: short stacking energy: -27.036 Base-Backbone interact. energy: -0.652 local terms energy: -30.946743 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -0.758 tors. eta vs tors. theta energy: -9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -46.283604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.283604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.283604 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.991 Base-Backbone interact. energy: -0.007 local terms energy: -28.285749 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -5.358 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: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -46.665903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.665903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.665903 (E_RNA) where: Base-Base interactions energy: -16.663 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.011 local terms energy: -29.992178 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -6.469 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: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -48.826535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.826535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.826535 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.009 local terms energy: -26.506879 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -2.433 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -6.040 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: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -44.131730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.131730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.131730 (E_RNA) where: Base-Base interactions energy: -16.060 where: short stacking energy: -11.916 Base-Backbone interact. energy: -1.489 local terms energy: -26.582104 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -4.129 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: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -51.089849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.089849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.089849 (E_RNA) where: Base-Base interactions energy: -18.983 where: short stacking energy: -18.983 Base-Backbone interact. energy: -0.028 local terms energy: -32.077971 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -7.231 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: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -70.024258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.024258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.024258 (E_RNA) where: Base-Base interactions energy: -37.800 where: short stacking energy: -23.698 Base-Backbone interact. energy: -0.000 local terms energy: -32.224502 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -58.105481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.105481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.105481 (E_RNA) where: Base-Base interactions energy: -27.031 where: short stacking energy: -27.031 Base-Backbone interact. energy: -0.002 local terms energy: -31.072523 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -61.499938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.499938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.499938 (E_RNA) where: Base-Base interactions energy: -22.753 where: short stacking energy: -22.753 Base-Backbone interact. energy: -0.001 local terms energy: -38.746690 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -56.487598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.487598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.487598 (E_RNA) where: Base-Base interactions energy: -25.019 where: short stacking energy: -25.019 Base-Backbone interact. energy: -0.085 local terms energy: -31.384461 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -3.142 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: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -55.267623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.267623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.267623 (E_RNA) where: Base-Base interactions energy: -24.178 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.015 local terms energy: -31.074714 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.251 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -57.765435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.765435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.765435 (E_RNA) where: Base-Base interactions energy: -24.952 where: short stacking energy: -24.952 Base-Backbone interact. energy: -0.005 local terms energy: -32.808734 where: bonds (distance) C4'-P energy: -7.318 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -5.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -46.678569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.678569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.678569 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -16.547 Base-Backbone interact. energy: -0.100 local terms energy: -27.414648 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -5.017 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: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -43.917806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.917806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.917806 (E_RNA) where: Base-Base interactions energy: -21.372 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.029 local terms energy: -22.517221 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -5.667 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: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -48.578924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.578924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.578924 (E_RNA) where: Base-Base interactions energy: -21.962 where: short stacking energy: -18.840 Base-Backbone interact. energy: -0.080 local terms energy: -26.537117 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -1.784 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: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -45.565544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.565544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.565544 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: 0.205 local terms energy: -33.611334 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -6.304 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: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -74.616013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.616013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.616013 (E_RNA) where: Base-Base interactions energy: -32.160 where: short stacking energy: -28.418 Base-Backbone interact. energy: -0.000 local terms energy: -42.456264 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -10.458 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -59.540600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.540600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.540600 (E_RNA) where: Base-Base interactions energy: -24.864 where: short stacking energy: -24.864 Base-Backbone interact. energy: -0.011 local terms energy: -34.665327 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -63.975781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.975781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.975781 (E_RNA) where: Base-Base interactions energy: -27.305 where: short stacking energy: -20.043 Base-Backbone interact. energy: -0.290 local terms energy: -36.380307 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -6.715 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: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -55.639919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.639919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.639919 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.000 local terms energy: -33.105579 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -6.232 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: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -51.779981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.779981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.779981 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -12.717 Base-Backbone interact. energy: -0.065 local terms energy: -28.863365 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: 2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -54.104927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.104927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.104927 (E_RNA) where: Base-Base interactions energy: -24.588 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.143 local terms energy: -29.373370 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.005 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: 7, replica: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -49.177184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.177184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.177184 (E_RNA) where: Base-Base interactions energy: -19.834 where: short stacking energy: -19.834 Base-Backbone interact. energy: -0.051 local terms energy: -29.292127 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -5.233 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: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -43.124624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.124624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.124624 (E_RNA) where: Base-Base interactions energy: -15.501 where: short stacking energy: -15.501 Base-Backbone interact. energy: -0.009 local terms energy: -27.614381 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -2.734 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: 96 Temperature: 1.300000 Total energy: -43.592995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.592995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.592995 (E_RNA) where: Base-Base interactions energy: -17.784 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.005 local terms energy: -25.804162 where: bonds (distance) C4'-P energy: -4.604 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -4.166 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: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -49.217543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.217543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.217543 (E_RNA) where: Base-Base interactions energy: -23.860 where: short stacking energy: -22.504 Base-Backbone interact. energy: -0.004 local terms energy: -25.354079 where: bonds (distance) C4'-P energy: -1.466 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -68.602224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.602224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.602224 (E_RNA) where: Base-Base interactions energy: -31.666 where: short stacking energy: -23.623 Base-Backbone interact. energy: -0.003 local terms energy: -36.932594 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -64.091521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.091521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.091521 (E_RNA) where: Base-Base interactions energy: -32.266 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.015 local terms energy: -31.811068 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -63.826410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.826410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.826410 (E_RNA) where: Base-Base interactions energy: -27.879 where: short stacking energy: -27.879 Base-Backbone interact. energy: -0.000 local terms energy: -35.947259 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -7.698 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: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -69.971279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.971279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.971279 (E_RNA) where: Base-Base interactions energy: -38.229 where: short stacking energy: -18.987 Base-Backbone interact. energy: -0.037 local terms energy: -31.704658 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -4.862 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -5.664 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: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -60.464912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.464912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.464912 (E_RNA) where: Base-Base interactions energy: -25.963 where: short stacking energy: -25.878 Base-Backbone interact. energy: -0.000 local terms energy: -34.501934 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -4.785 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: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -47.091501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.091501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.091501 (E_RNA) where: Base-Base interactions energy: -22.673 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.078 local terms energy: -24.340110 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -51.081308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.081308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.081308 (E_RNA) where: Base-Base interactions energy: -27.054 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.002 local terms energy: -24.025289 where: bonds (distance) C4'-P energy: -3.713 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -2.120 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: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -41.918237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.918237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.918237 (E_RNA) where: Base-Base interactions energy: -14.765 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.064 local terms energy: -27.089704 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -42.631936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.631936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.631936 (E_RNA) where: Base-Base interactions energy: -19.035 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.015 local terms energy: -23.582534 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -3.583 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: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -42.130155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.130155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.130155 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.113 local terms energy: -32.698598 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -68.907741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.907741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.907741 (E_RNA) where: Base-Base interactions energy: -29.022 where: short stacking energy: -28.453 Base-Backbone interact. energy: -0.060 local terms energy: -39.825401 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -71.109514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.109514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.109514 (E_RNA) where: Base-Base interactions energy: -30.980 where: short stacking energy: -30.980 Base-Backbone interact. energy: -0.000 local terms energy: -40.129073 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -10.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -59.950987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.950987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.950987 (E_RNA) where: Base-Base interactions energy: -29.093 where: short stacking energy: -17.058 Base-Backbone interact. energy: -0.383 local terms energy: -30.474652 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -56.013818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.013818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.013818 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.000 local terms energy: -34.397514 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -3.759 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: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -57.985593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.985593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.985593 (E_RNA) where: Base-Base interactions energy: -22.206 where: short stacking energy: -21.279 Base-Backbone interact. energy: -0.000 local terms energy: -35.778764 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.692 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: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -52.557260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.557260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.557260 (E_RNA) where: Base-Base interactions energy: -18.915 where: short stacking energy: -18.915 Base-Backbone interact. energy: -0.000 local terms energy: -33.642161 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.575 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: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -48.044912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044912 (E_RNA) where: Base-Base interactions energy: -22.178 where: short stacking energy: -18.494 Base-Backbone interact. energy: -0.052 local terms energy: -25.814502 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -4.307 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: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -48.919741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.919741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.919741 (E_RNA) where: Base-Base interactions energy: -22.959 where: short stacking energy: -14.886 Base-Backbone interact. energy: -0.607 local terms energy: -25.353913 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -45.009466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.009466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.009466 (E_RNA) where: Base-Base interactions energy: -18.626 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.042 local terms energy: -26.341542 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -40.103117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.103117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.103117 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: 0.290 local terms energy: -28.380585 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -66.079384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.079384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.079384 (E_RNA) where: Base-Base interactions energy: -35.043 where: short stacking energy: -25.824 Base-Backbone interact. energy: -0.016 local terms energy: -31.020670 where: bonds (distance) C4'-P energy: -4.372 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.944 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -72.870793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.870793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.870793 (E_RNA) where: Base-Base interactions energy: -36.709 where: short stacking energy: -25.968 Base-Backbone interact. energy: -0.001 local terms energy: -36.161017 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -6.630 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: 99 Temperature: 1.000000 Total energy: -58.092309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.092309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.092309 (E_RNA) where: Base-Base interactions energy: -24.493 where: short stacking energy: -24.493 Base-Backbone interact. energy: -0.001 local terms energy: -33.598459 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.596 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: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -58.369367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.369367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.369367 (E_RNA) where: Base-Base interactions energy: -22.726 where: short stacking energy: -22.726 Base-Backbone interact. energy: -0.000 local terms energy: -35.642601 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -61.743663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.743663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.743663 (E_RNA) where: Base-Base interactions energy: -27.494 where: short stacking energy: -27.494 Base-Backbone interact. energy: -0.002 local terms energy: -34.247861 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -52.658796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.658796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.658796 (E_RNA) where: Base-Base interactions energy: -19.188 where: short stacking energy: -19.188 Base-Backbone interact. energy: -0.010 local terms energy: -33.460875 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -4.194 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: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -52.615827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.615827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.615827 (E_RNA) where: Base-Base interactions energy: -21.337 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.000 local terms energy: -31.279081 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -44.514553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.514553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.514553 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.243 local terms energy: -29.451147 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -40.133402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.133402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.133402 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.493 local terms energy: -26.605031 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -6.537 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: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -48.574704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.574704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.574704 (E_RNA) where: Base-Base interactions energy: -18.246 where: short stacking energy: -17.011 Base-Backbone interact. energy: 0.103 local terms energy: -30.431557 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -6.910 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -67.591402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.591402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.591402 (E_RNA) where: Base-Base interactions energy: -31.582 where: short stacking energy: -31.582 Base-Backbone interact. energy: -0.000 local terms energy: -36.009325 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -9.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -68.900358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.900358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.900358 (E_RNA) where: Base-Base interactions energy: -27.969 where: short stacking energy: -27.969 Base-Backbone interact. energy: -0.000 local terms energy: -40.931704 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -70.308555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.308555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.308555 (E_RNA) where: Base-Base interactions energy: -30.982 where: short stacking energy: -30.901 Base-Backbone interact. energy: -0.000 local terms energy: -39.326025 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -9.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -59.895000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.895000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.895000 (E_RNA) where: Base-Base interactions energy: -26.060 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.166 local terms energy: -33.668161 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -50.050195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.050195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.050195 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -15.489 Base-Backbone interact. energy: -0.016 local terms energy: -31.572647 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -5.769 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: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -46.770782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.770782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.770782 (E_RNA) where: Base-Base interactions energy: -18.329 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.020 local terms energy: -28.421736 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -3.091 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: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -47.105875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.105875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.105875 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -19.261 Base-Backbone interact. energy: -0.000 local terms energy: -27.844258 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -49.690935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.690935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.690935 (E_RNA) where: Base-Base interactions energy: -18.944 where: short stacking energy: -14.136 Base-Backbone interact. energy: -0.003 local terms energy: -30.744306 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.696 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: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -62.281502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.281502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.281502 (E_RNA) where: Base-Base interactions energy: -30.399 where: short stacking energy: -18.150 Base-Backbone interact. energy: -0.020 local terms energy: -31.862361 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -4.693 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -6.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -40.649721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649721 (E_RNA) where: Base-Base interactions energy: -14.559 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.060 local terms energy: -26.031471 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -68.460312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.460312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.460312 (E_RNA) where: Base-Base interactions energy: -29.427 where: short stacking energy: -29.427 Base-Backbone interact. energy: -0.000 local terms energy: -39.032652 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -11.180 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: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -68.539614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.539614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.539614 (E_RNA) where: Base-Base interactions energy: -41.711 where: short stacking energy: -16.500 Base-Backbone interact. energy: -0.007 local terms energy: -26.821541 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.741 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -61.247888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.247888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.247888 (E_RNA) where: Base-Base interactions energy: -25.622 where: short stacking energy: -25.622 Base-Backbone interact. energy: 0.230 local terms energy: -35.855837 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -6.599 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: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -58.087929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.087929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.087929 (E_RNA) where: Base-Base interactions energy: -26.665 where: short stacking energy: -22.720 Base-Backbone interact. energy: -0.882 local terms energy: -30.541545 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -61.049630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.049630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.049630 (E_RNA) where: Base-Base interactions energy: -29.117 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.022 local terms energy: -31.909887 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -54.639318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.639318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.639318 (E_RNA) where: Base-Base interactions energy: -22.614 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.000 local terms energy: -32.025541 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -6.928 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: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -45.190060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.190060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.190060 (E_RNA) where: Base-Base interactions energy: -14.558 where: short stacking energy: -14.558 Base-Backbone interact. energy: -0.018 local terms energy: -30.614097 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -51.667609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.667609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.667609 (E_RNA) where: Base-Base interactions energy: -20.687 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.014 local terms energy: -30.966307 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.435 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: 9, replica: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -46.649798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.649798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.649798 (E_RNA) where: Base-Base interactions energy: -22.400 where: short stacking energy: -12.257 Base-Backbone interact. energy: 0.816 local terms energy: -25.065987 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.888 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: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -40.245615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.245615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.245615 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.037 Base-Backbone interact. energy: -0.001 local terms energy: -26.812328 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -80.935030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.935030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.935030 (E_RNA) where: Base-Base interactions energy: -46.960 where: short stacking energy: -30.649 Base-Backbone interact. energy: -0.000 local terms energy: -33.974906 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.078 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -3.479 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: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -64.475747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.475747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.475747 (E_RNA) where: Base-Base interactions energy: -29.717 where: short stacking energy: -27.417 Base-Backbone interact. energy: -0.000 local terms energy: -34.758874 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -64.553144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.553144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.553144 (E_RNA) where: Base-Base interactions energy: -33.062 where: short stacking energy: -20.197 Base-Backbone interact. energy: -0.002 local terms energy: -31.489413 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -54.424915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.424915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.424915 (E_RNA) where: Base-Base interactions energy: -18.667 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.006 local terms energy: -35.751350 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -53.968642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.968642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.968642 (E_RNA) where: Base-Base interactions energy: -25.226 where: short stacking energy: -25.226 Base-Backbone interact. energy: -0.097 local terms energy: -28.644756 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -48.273369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.273369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.273369 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.003 local terms energy: -23.353078 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -44.212264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.212264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.212264 (E_RNA) where: Base-Base interactions energy: -15.358 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.520 local terms energy: -28.334580 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -51.876798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.876798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.876798 (E_RNA) where: Base-Base interactions energy: -17.645 where: short stacking energy: -17.405 Base-Backbone interact. energy: -0.000 local terms energy: -34.231507 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -47.573227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.573227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.573227 (E_RNA) where: Base-Base interactions energy: -17.998 where: short stacking energy: -17.998 Base-Backbone interact. energy: 2.084 local terms energy: -31.659895 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -5.693 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -47.072203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.072203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.072203 (E_RNA) where: Base-Base interactions energy: -19.390 where: short stacking energy: -19.390 Base-Backbone interact. energy: -0.012 local terms energy: -27.670089 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -73.052847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.052847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.052847 (E_RNA) where: Base-Base interactions energy: -39.213 where: short stacking energy: -20.191 Base-Backbone interact. energy: -0.010 local terms energy: -33.829796 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -70.571346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.571346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.571346 (E_RNA) where: Base-Base interactions energy: -38.292 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.000 local terms energy: -32.279560 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -56.591716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.591716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.591716 (E_RNA) where: Base-Base interactions energy: -28.125 where: short stacking energy: -20.531 Base-Backbone interact. energy: 0.602 local terms energy: -29.069032 where: bonds (distance) C4'-P energy: -8.316 bonds (distance) P-C4' energy: -4.977 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.696 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: 103 Temperature: 1.050000 Total energy: -50.613726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.613726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.613726 (E_RNA) where: Base-Base interactions energy: -15.881 where: short stacking energy: -15.881 Base-Backbone interact. energy: -0.000 local terms energy: -34.732669 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -5.234 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: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -57.775212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.775212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.775212 (E_RNA) where: Base-Base interactions energy: -31.293 where: short stacking energy: -23.452 Base-Backbone interact. energy: -0.194 local terms energy: -26.288257 where: bonds (distance) C4'-P energy: -5.198 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -4.091 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: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -44.039076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.039076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.039076 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -15.191 Base-Backbone interact. energy: -0.007 local terms energy: -28.840430 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -5.495 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: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -44.038039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.038039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.038039 (E_RNA) where: Base-Base interactions energy: -16.748 where: short stacking energy: -16.748 Base-Backbone interact. energy: 1.526 local terms energy: -28.816047 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -45.825046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.825046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.825046 (E_RNA) where: Base-Base interactions energy: -19.505 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.133 local terms energy: -26.187023 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -41.445600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.445600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.445600 (E_RNA) where: Base-Base interactions energy: -12.158 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.051 local terms energy: -29.236606 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -40.184933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.184933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.184933 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.001 local terms energy: -26.909848 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.717 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: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -73.552910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.552910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.552910 (E_RNA) where: Base-Base interactions energy: -40.150 where: short stacking energy: -26.776 Base-Backbone interact. energy: -0.001 local terms energy: -33.401776 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -1.083 tors. eta vs tors. theta energy: -8.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -73.059691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.059691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.059691 (E_RNA) where: Base-Base interactions energy: -38.813 where: short stacking energy: -28.704 Base-Backbone interact. energy: -0.013 local terms energy: -34.233295 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -67.632951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.632951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.632951 (E_RNA) where: Base-Base interactions energy: -32.396 where: short stacking energy: -17.237 Base-Backbone interact. energy: -0.000 local terms energy: -35.236643 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -3.341 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: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -65.676826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.676826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.676826 (E_RNA) where: Base-Base interactions energy: -36.406 where: short stacking energy: -20.195 Base-Backbone interact. energy: -0.866 local terms energy: -28.404919 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -6.944 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: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -43.787285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.787285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.787285 (E_RNA) where: Base-Base interactions energy: -13.531 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.045 local terms energy: -30.211496 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -46.284285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.284285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.284285 (E_RNA) where: Base-Base interactions energy: -17.297 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.027 local terms energy: -28.960393 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -47.748191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.748191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.748191 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.009 local terms energy: -28.865801 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -48.037320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.037320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.037320 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -33.392960 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -43.566595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.566595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.566595 (E_RNA) where: Base-Base interactions energy: -14.950 where: short stacking energy: -14.950 Base-Backbone interact. energy: -0.000 local terms energy: -28.616495 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -5.316 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: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -46.826246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.826246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.826246 (E_RNA) where: Base-Base interactions energy: -23.169 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.061 local terms energy: -23.595833 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -0.369 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: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -71.566475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.566475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.566475 (E_RNA) where: Base-Base interactions energy: -35.723 where: short stacking energy: -21.169 Base-Backbone interact. energy: -0.668 local terms energy: -35.175193 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -63.201948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.201948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.201948 (E_RNA) where: Base-Base interactions energy: -31.989 where: short stacking energy: -16.015 Base-Backbone interact. energy: -0.175 local terms energy: -31.037422 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -58.974112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.974112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.974112 (E_RNA) where: Base-Base interactions energy: -23.343 where: short stacking energy: -22.702 Base-Backbone interact. energy: -0.003 local terms energy: -35.628087 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -61.670759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.670759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.670759 (E_RNA) where: Base-Base interactions energy: -27.905 where: short stacking energy: -22.342 Base-Backbone interact. energy: -0.001 local terms energy: -33.764901 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -52.183883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.183883 (E_RNA) where: Base-Base interactions energy: -22.342 where: short stacking energy: -22.342 Base-Backbone interact. energy: -0.034 local terms energy: -29.808632 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -6.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -49.855320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.855320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.855320 (E_RNA) where: Base-Base interactions energy: -21.700 where: short stacking energy: -16.065 Base-Backbone interact. energy: -0.024 local terms energy: -28.130965 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -49.818601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.818601 (E_RNA) where: Base-Base interactions energy: -22.361 where: short stacking energy: -22.361 Base-Backbone interact. energy: -0.051 local terms energy: -27.405895 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.103 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: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -51.260060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.260060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.260060 (E_RNA) where: Base-Base interactions energy: -21.784 where: short stacking energy: -21.784 Base-Backbone interact. energy: -0.007 local terms energy: -29.469261 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -3.714 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -42.082857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.082857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.082857 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.136 local terms energy: -28.045351 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.642 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: 10, replica: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -43.297830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.297830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.297830 (E_RNA) where: Base-Base interactions energy: -17.088 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.207 local terms energy: -26.003101 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -0.722 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: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -68.580153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.580153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.580153 (E_RNA) where: Base-Base interactions energy: -31.820 where: short stacking energy: -31.820 Base-Backbone interact. energy: -0.000 local terms energy: -36.760440 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -65.081323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.081323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.081323 (E_RNA) where: Base-Base interactions energy: -31.898 where: short stacking energy: -22.342 Base-Backbone interact. energy: -0.000 local terms energy: -33.183331 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.110 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: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -59.641651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.641651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.641651 (E_RNA) where: Base-Base interactions energy: -24.572 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.005 local terms energy: -35.065486 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -6.213 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: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -46.933634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.933634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.933634 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -20.742 Base-Backbone interact. energy: -0.020 local terms energy: -25.480114 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -2.334 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: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -51.605319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.605319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.605319 (E_RNA) where: Base-Base interactions energy: -17.968 where: short stacking energy: -17.935 Base-Backbone interact. energy: -0.014 local terms energy: -33.623916 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -53.125792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.125792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.125792 (E_RNA) where: Base-Base interactions energy: -26.225 where: short stacking energy: -15.861 Base-Backbone interact. energy: -0.023 local terms energy: -26.878360 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -5.318 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: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -46.577660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.577660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.577660 (E_RNA) where: Base-Base interactions energy: -16.908 where: short stacking energy: -16.908 Base-Backbone interact. energy: 1.752 local terms energy: -31.421395 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -6.834 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: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -47.656834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.656834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.656834 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: -0.066 local terms energy: -34.157321 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -5.859 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: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -45.010553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.010553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.010553 (E_RNA) where: Base-Base interactions energy: -16.899 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.005 local terms energy: -28.105965 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -41.121475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.121475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.121475 (E_RNA) where: Base-Base interactions energy: -17.208 where: short stacking energy: -17.208 Base-Backbone interact. energy: -0.041 local terms energy: -23.872884 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -61.982816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.982816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.982816 (E_RNA) where: Base-Base interactions energy: -28.165 where: short stacking energy: -28.165 Base-Backbone interact. energy: -0.002 local terms energy: -33.816224 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -5.077 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -79.283597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.283597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.283597 (E_RNA) where: Base-Base interactions energy: -43.619 where: short stacking energy: -23.017 Base-Backbone interact. energy: 0.075 local terms energy: -35.739963 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -3.621 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: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -54.219638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.219638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.219638 (E_RNA) where: Base-Base interactions energy: -19.690 where: short stacking energy: -19.653 Base-Backbone interact. energy: -0.034 local terms energy: -34.495831 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -53.469743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.469743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.469743 (E_RNA) where: Base-Base interactions energy: -19.219 where: short stacking energy: -17.093 Base-Backbone interact. energy: -0.001 local terms energy: -34.249551 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -5.098 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: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -52.931932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.931932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.931932 (E_RNA) where: Base-Base interactions energy: -20.803 where: short stacking energy: -20.803 Base-Backbone interact. energy: 0.188 local terms energy: -32.316942 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -4.370 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: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -45.310452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310452 (E_RNA) where: Base-Base interactions energy: -24.274 where: short stacking energy: -13.637 Base-Backbone interact. energy: -0.105 local terms energy: -20.931567 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -0.245 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -42.226523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.226523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.226523 (E_RNA) where: Base-Base interactions energy: -13.617 where: short stacking energy: -13.617 Base-Backbone interact. energy: -0.003 local terms energy: -28.606626 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -5.904 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.274 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: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -44.735723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.735723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.735723 (E_RNA) where: Base-Base interactions energy: -19.073 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.087 local terms energy: -25.575552 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -2.354 flat angles P-C4'-P energy: -5.459 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: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -45.246174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.246174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.246174 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -15.712 Base-Backbone interact. energy: -0.001 local terms energy: -28.268145 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -42.512768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.512768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.512768 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.020 local terms energy: -28.050412 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -6.027 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: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -73.995747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.995747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.995747 (E_RNA) where: Base-Base interactions energy: -42.020 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.088 local terms energy: -31.888511 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -60.431249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.431249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.431249 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -24.707 Base-Backbone interact. energy: -0.001 local terms energy: -35.723529 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -9.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -56.401116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.401116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.401116 (E_RNA) where: Base-Base interactions energy: -24.463 where: short stacking energy: -24.463 Base-Backbone interact. energy: -0.019 local terms energy: -31.919041 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -59.034336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.034336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.034336 (E_RNA) where: Base-Base interactions energy: -26.053 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.007 local terms energy: -32.974308 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.023 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: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -57.298814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.298814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.298814 (E_RNA) where: Base-Base interactions energy: -29.054 where: short stacking energy: -29.054 Base-Backbone interact. energy: -0.001 local terms energy: -28.243943 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -6.404 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: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -50.926435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.926435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.926435 (E_RNA) where: Base-Base interactions energy: -19.491 where: short stacking energy: -19.491 Base-Backbone interact. energy: -0.001 local terms energy: -31.434668 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -42.066846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.066846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.066846 (E_RNA) where: Base-Base interactions energy: -18.095 where: short stacking energy: -18.095 Base-Backbone interact. energy: -0.067 local terms energy: -23.904922 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -64.867125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.867125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.867125 (E_RNA) where: Base-Base interactions energy: -36.133 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.017 local terms energy: -28.717449 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -42.412908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.412908 (E_RNA) where: Base-Base interactions energy: -19.324 where: short stacking energy: -19.324 Base-Backbone interact. energy: 0.233 local terms energy: -23.321671 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.527 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: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -44.283385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.283385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.283385 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.079 local terms energy: -29.864013 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -1.744 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: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -65.306472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.306472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.306472 (E_RNA) where: Base-Base interactions energy: -30.025 where: short stacking energy: -30.025 Base-Backbone interact. energy: -0.057 local terms energy: -35.224661 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -8.021 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: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -64.657122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.657122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.657122 (E_RNA) where: Base-Base interactions energy: -33.903 where: short stacking energy: -27.987 Base-Backbone interact. energy: -0.004 local terms energy: -30.749532 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.272 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -51.436458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.436458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.436458 (E_RNA) where: Base-Base interactions energy: -21.708 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.004 local terms energy: -29.724117 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -5.366 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: 4, replica: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -53.955118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.955118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.955118 (E_RNA) where: Base-Base interactions energy: -21.379 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.002 local terms energy: -32.573640 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -7.770 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: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -49.891297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.891297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.891297 (E_RNA) where: Base-Base interactions energy: -18.123 where: short stacking energy: -18.123 Base-Backbone interact. energy: -0.181 local terms energy: -31.586575 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -47.178665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.178665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.178665 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.001 local terms energy: -31.237618 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -50.578059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.578059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.578059 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.006 local terms energy: -34.505322 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -5.867 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: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -65.900902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.900902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.900902 (E_RNA) where: Base-Base interactions energy: -31.759 where: short stacking energy: -23.428 Base-Backbone interact. energy: -0.029 local terms energy: -34.112690 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -44.561748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.561748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.561748 (E_RNA) where: Base-Base interactions energy: -13.132 where: short stacking energy: -13.132 Base-Backbone interact. energy: 0.648 local terms energy: -32.077213 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.834 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: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -46.139183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.139183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.139183 (E_RNA) where: Base-Base interactions energy: -17.184 where: short stacking energy: -17.184 Base-Backbone interact. energy: -0.000 local terms energy: -28.954781 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.635 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: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -84.138870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.138870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.138870 (E_RNA) where: Base-Base interactions energy: -46.460 where: short stacking energy: -29.354 Base-Backbone interact. energy: -0.022 local terms energy: -37.657132 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -62.750288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.750288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.750288 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -24.659 Base-Backbone interact. energy: -0.818 local terms energy: -34.266878 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.796 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: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -62.156080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.156080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.156080 (E_RNA) where: Base-Base interactions energy: -28.297 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.000 local terms energy: -33.859035 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -70.023333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.023333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.023333 (E_RNA) where: Base-Base interactions energy: -34.778 where: short stacking energy: -19.118 Base-Backbone interact. energy: -0.001 local terms energy: -35.244691 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -7.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -54.889855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.889855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.889855 (E_RNA) where: Base-Base interactions energy: -23.918 where: short stacking energy: -23.918 Base-Backbone interact. energy: -0.006 local terms energy: -30.965942 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.943 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: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -56.712959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.712959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.712959 (E_RNA) where: Base-Base interactions energy: -29.385 where: short stacking energy: -22.425 Base-Backbone interact. energy: -0.028 local terms energy: -27.299821 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -46.983052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.983052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.983052 (E_RNA) where: Base-Base interactions energy: -20.714 where: short stacking energy: -20.714 Base-Backbone interact. energy: -0.000 local terms energy: -26.268700 where: bonds (distance) C4'-P energy: -2.129 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -50.702341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.702341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.702341 (E_RNA) where: Base-Base interactions energy: -20.334 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.000 local terms energy: -30.367826 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -7.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -46.503641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.503641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.503641 (E_RNA) where: Base-Base interactions energy: -12.686 where: short stacking energy: -12.686 Base-Backbone interact. energy: -0.011 local terms energy: -33.805935 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -48.251246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.251246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.251246 (E_RNA) where: Base-Base interactions energy: -17.758 where: short stacking energy: -17.758 Base-Backbone interact. energy: -0.031 local terms energy: -30.462326 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -3.762 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: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -77.526242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.526242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.526242 (E_RNA) where: Base-Base interactions energy: -44.021 where: short stacking energy: -27.650 Base-Backbone interact. energy: -0.020 local terms energy: -33.485667 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -66.963169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.963169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.963169 (E_RNA) where: Base-Base interactions energy: -38.485 where: short stacking energy: -19.642 Base-Backbone interact. energy: -0.304 local terms energy: -28.174644 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -9.523 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -60.359931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.359931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.359931 (E_RNA) where: Base-Base interactions energy: -25.117 where: short stacking energy: -25.117 Base-Backbone interact. energy: -0.002 local terms energy: -35.240889 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -61.310455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.310455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.310455 (E_RNA) where: Base-Base interactions energy: -27.562 where: short stacking energy: -26.699 Base-Backbone interact. energy: -0.016 local terms energy: -33.732438 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -7.448 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: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -54.936516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.936516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.936516 (E_RNA) where: Base-Base interactions energy: -22.472 where: short stacking energy: -22.472 Base-Backbone interact. energy: -0.000 local terms energy: -32.464530 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -1.765 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -46.355838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.355838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.355838 (E_RNA) where: Base-Base interactions energy: -17.323 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.083 local terms energy: -28.949484 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -50.707795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.707795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.707795 (E_RNA) where: Base-Base interactions energy: -17.062 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.005 local terms energy: -33.641269 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -54.741968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.741968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.741968 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -20.498 Base-Backbone interact. energy: -0.002 local terms energy: -34.241725 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -6.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -45.730519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.730519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.730519 (E_RNA) where: Base-Base interactions energy: -20.426 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.000 local terms energy: -25.303748 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -1.597 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: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -39.111591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.111591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.111591 (E_RNA) where: Base-Base interactions energy: -10.295 where: short stacking energy: -10.295 Base-Backbone interact. energy: -0.011 local terms energy: -28.805179 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -73.483715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.483715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.483715 (E_RNA) where: Base-Base interactions energy: -34.957 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.000 local terms energy: -38.526469 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -8.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -55.957300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.957300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.957300 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -14.595 Base-Backbone interact. energy: -2.473 local terms energy: -35.773232 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -68.567940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567940 (E_RNA) where: Base-Base interactions energy: -37.303 where: short stacking energy: -28.581 Base-Backbone interact. energy: -0.000 local terms energy: -31.265110 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -51.410755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.410755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.410755 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.274 local terms energy: -34.216479 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -6.714 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: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -57.684117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.684117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.684117 (E_RNA) where: Base-Base interactions energy: -24.496 where: short stacking energy: -24.496 Base-Backbone interact. energy: -0.112 local terms energy: -33.076622 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -54.410866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.410866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.410866 (E_RNA) where: Base-Base interactions energy: -22.796 where: short stacking energy: -22.796 Base-Backbone interact. energy: -0.000 local terms energy: -31.614999 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -6.874 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -3.818 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: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -51.325569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.325569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.325569 (E_RNA) where: Base-Base interactions energy: -22.597 where: short stacking energy: -22.597 Base-Backbone interact. energy: -0.000 local terms energy: -28.728895 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -48.723531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723531 (E_RNA) where: Base-Base interactions energy: -23.452 where: short stacking energy: -14.164 Base-Backbone interact. energy: 0.842 local terms energy: -26.114231 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -41.152107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.152107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.152107 (E_RNA) where: Base-Base interactions energy: -17.188 where: short stacking energy: -17.188 Base-Backbone interact. energy: -0.001 local terms energy: -23.963408 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -41.939393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.939393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.939393 (E_RNA) where: Base-Base interactions energy: -20.628 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.040 local terms energy: -21.271362 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -77.320421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.320421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.320421 (E_RNA) where: Base-Base interactions energy: -42.876 where: short stacking energy: -28.794 Base-Backbone interact. energy: -0.005 local terms energy: -34.439908 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -73.291875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.291875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.291875 (E_RNA) where: Base-Base interactions energy: -43.903 where: short stacking energy: -26.172 Base-Backbone interact. energy: 0.838 local terms energy: -30.226622 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -1.213 tors. eta vs tors. theta energy: -8.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -62.332334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.332334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.332334 (E_RNA) where: Base-Base interactions energy: -30.403 where: short stacking energy: -25.572 Base-Backbone interact. energy: -0.753 local terms energy: -31.176416 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -65.276425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.276425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.276425 (E_RNA) where: Base-Base interactions energy: -30.166 where: short stacking energy: -29.394 Base-Backbone interact. energy: -0.001 local terms energy: -35.110059 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -6.467 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: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -58.218639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.218639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.218639 (E_RNA) where: Base-Base interactions energy: -24.467 where: short stacking energy: -23.079 Base-Backbone interact. energy: -0.000 local terms energy: -33.751102 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -6.922 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: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -57.538940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.538940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.538940 (E_RNA) where: Base-Base interactions energy: -26.280 where: short stacking energy: -19.890 Base-Backbone interact. energy: 1.244 local terms energy: -32.502482 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -6.360 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: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -53.936834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.936834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.936834 (E_RNA) where: Base-Base interactions energy: -18.293 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.002 local terms energy: -35.642627 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -45.297055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.297055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.297055 (E_RNA) where: Base-Base interactions energy: -19.554 where: short stacking energy: -19.554 Base-Backbone interact. energy: -0.001 local terms energy: -25.742439 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -45.949160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.949160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.949160 (E_RNA) where: Base-Base interactions energy: -16.110 where: short stacking energy: -16.110 Base-Backbone interact. energy: 0.533 local terms energy: -30.372574 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -46.348167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.348167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.348167 (E_RNA) where: Base-Base interactions energy: -17.884 where: short stacking energy: -17.884 Base-Backbone interact. energy: -0.010 local terms energy: -28.453587 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -71.316721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.316721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.316721 (E_RNA) where: Base-Base interactions energy: -32.478 where: short stacking energy: -32.478 Base-Backbone interact. energy: -0.000 local terms energy: -38.838989 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -62.587831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.587831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.587831 (E_RNA) where: Base-Base interactions energy: -31.445 where: short stacking energy: -23.186 Base-Backbone interact. energy: -0.005 local terms energy: -31.138237 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -60.899014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.899014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.899014 (E_RNA) where: Base-Base interactions energy: -26.639 where: short stacking energy: -26.639 Base-Backbone interact. energy: -0.000 local terms energy: -34.260232 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -52.297272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.297272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.297272 (E_RNA) where: Base-Base interactions energy: -22.688 where: short stacking energy: -22.888 Base-Backbone interact. energy: -0.053 local terms energy: -29.556744 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.561 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: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -61.189361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.189361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.189361 (E_RNA) where: Base-Base interactions energy: -30.795 where: short stacking energy: -21.103 Base-Backbone interact. energy: 0.214 local terms energy: -30.608294 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.040 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: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -51.818428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.818428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.818428 (E_RNA) where: Base-Base interactions energy: -22.489 where: short stacking energy: -17.107 Base-Backbone interact. energy: -0.028 local terms energy: -29.301338 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.038 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -3.648 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: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -45.220479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.220479 (E_RNA) where: Base-Base interactions energy: -14.642 where: short stacking energy: -14.379 Base-Backbone interact. energy: -0.011 local terms energy: -30.567138 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -5.603 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: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -46.889476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.889476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.889476 (E_RNA) where: Base-Base interactions energy: -19.961 where: short stacking energy: -19.961 Base-Backbone interact. energy: -0.045 local terms energy: -26.883564 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.265 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: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -45.338020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.338020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.338020 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.924 Base-Backbone interact. energy: -0.020 local terms energy: -28.393871 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -5.426 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.712 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: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -46.807750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.807750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.807750 (E_RNA) where: Base-Base interactions energy: -17.278 where: short stacking energy: -15.088 Base-Backbone interact. energy: -0.099 local terms energy: -29.430851 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -57.936919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.936919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.936919 (E_RNA) where: Base-Base interactions energy: -23.904 where: short stacking energy: -23.069 Base-Backbone interact. energy: -0.016 local terms energy: -34.016875 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -6.402 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: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -63.166898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.166898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.166898 (E_RNA) where: Base-Base interactions energy: -27.058 where: short stacking energy: -27.058 Base-Backbone interact. energy: -0.190 local terms energy: -35.918480 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -7.145 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: 115 Temperature: 1.000000 Total energy: -71.957600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.957600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.957600 (E_RNA) where: Base-Base interactions energy: -37.628 where: short stacking energy: -32.171 Base-Backbone interact. energy: -1.133 local terms energy: -33.196535 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -8.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -51.410448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.410448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.410448 (E_RNA) where: Base-Base interactions energy: -19.194 where: short stacking energy: -17.186 Base-Backbone interact. energy: -0.065 local terms energy: -32.151694 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -4.249 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: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -52.388195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.388195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.388195 (E_RNA) where: Base-Base interactions energy: -22.519 where: short stacking energy: -22.519 Base-Backbone interact. energy: -0.001 local terms energy: -29.868133 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -3.439 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -50.310353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.310353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.310353 (E_RNA) where: Base-Base interactions energy: -20.210 where: short stacking energy: -20.210 Base-Backbone interact. energy: -0.169 local terms energy: -29.931335 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -4.452 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: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -48.423128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.423128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.423128 (E_RNA) where: Base-Base interactions energy: -17.188 where: short stacking energy: -17.188 Base-Backbone interact. energy: -0.008 local terms energy: -31.226956 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -4.708 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: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -46.726128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.726128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.726128 (E_RNA) where: Base-Base interactions energy: -21.129 where: short stacking energy: -21.129 Base-Backbone interact. energy: -0.008 local terms energy: -25.588901 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -6.747 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -46.694515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.694515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.694515 (E_RNA) where: Base-Base interactions energy: -22.763 where: short stacking energy: -22.763 Base-Backbone interact. energy: -0.002 local terms energy: -23.929597 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.657 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: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -47.282252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.282252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.282252 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.000 local terms energy: -35.550361 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -64.520064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.520064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.520064 (E_RNA) where: Base-Base interactions energy: -37.183 where: short stacking energy: -15.067 Base-Backbone interact. energy: -0.259 local terms energy: -27.078230 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -6.021 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: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -76.265305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.265305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.265305 (E_RNA) where: Base-Base interactions energy: -44.973 where: short stacking energy: -27.149 Base-Backbone interact. energy: -0.000 local terms energy: -31.291616 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -3.431 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: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -80.294900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.294900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.294900 (E_RNA) where: Base-Base interactions energy: -36.545 where: short stacking energy: -31.931 Base-Backbone interact. energy: -2.522 local terms energy: -41.227844 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -51.880561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.880561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.880561 (E_RNA) where: Base-Base interactions energy: -22.423 where: short stacking energy: -20.426 Base-Backbone interact. energy: -0.136 local terms energy: -29.321491 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.332 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: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -44.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.977127 (E_RNA) where: Base-Base interactions energy: -18.166 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.013 local terms energy: -26.797659 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -1.093 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: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -49.438038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.438038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.438038 (E_RNA) where: Base-Base interactions energy: -18.842 where: short stacking energy: -18.842 Base-Backbone interact. energy: -0.004 local terms energy: -30.591930 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -44.880631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.880631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.880631 (E_RNA) where: Base-Base interactions energy: -18.404 where: short stacking energy: -18.404 Base-Backbone interact. energy: -0.092 local terms energy: -26.385240 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -45.805279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.805279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.805279 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.014 local terms energy: -30.326896 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -1.924 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: 116 Temperature: 1.300000 Total energy: -46.596214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.596214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.596214 (E_RNA) where: Base-Base interactions energy: -25.196 where: short stacking energy: -22.036 Base-Backbone interact. energy: 0.241 local terms energy: -21.641301 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -37.406854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.406854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.406854 (E_RNA) where: Base-Base interactions energy: -17.795 where: short stacking energy: -11.754 Base-Backbone interact. energy: 0.385 local terms energy: -19.996981 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -69.002655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.002655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.002655 (E_RNA) where: Base-Base interactions energy: -36.238 where: short stacking energy: -26.468 Base-Backbone interact. energy: -0.084 local terms energy: -32.680431 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -3.192 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: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -75.565014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.565014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.565014 (E_RNA) where: Base-Base interactions energy: -42.198 where: short stacking energy: -26.473 Base-Backbone interact. energy: -0.003 local terms energy: -33.363457 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -77.772428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.772428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.772428 (E_RNA) where: Base-Base interactions energy: -44.284 where: short stacking energy: -22.771 Base-Backbone interact. energy: -0.002 local terms energy: -33.486278 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -4.622 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: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -56.564894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.564894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.564894 (E_RNA) where: Base-Base interactions energy: -21.725 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.014 local terms energy: -34.825442 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -55.723909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.723909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.723909 (E_RNA) where: Base-Base interactions energy: -23.986 where: short stacking energy: -23.986 Base-Backbone interact. energy: -0.000 local terms energy: -31.737973 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -6.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -44.672965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.672965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.672965 (E_RNA) where: Base-Base interactions energy: -13.233 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.180 local terms energy: -31.260841 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -4.941 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: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -47.489636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.489636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.489636 (E_RNA) where: Base-Base interactions energy: -14.031 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.055 local terms energy: -33.402873 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -6.277 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: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -46.120652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.120652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.120652 (E_RNA) where: Base-Base interactions energy: -15.937 where: short stacking energy: -13.706 Base-Backbone interact. energy: -0.006 local terms energy: -30.177424 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -50.913282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913282 (E_RNA) where: Base-Base interactions energy: -21.551 where: short stacking energy: -16.549 Base-Backbone interact. energy: -0.000 local terms energy: -29.362586 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -47.191455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.191455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.191455 (E_RNA) where: Base-Base interactions energy: -17.412 where: short stacking energy: -17.007 Base-Backbone interact. energy: -0.032 local terms energy: -29.747690 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -68.368562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.368562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.368562 (E_RNA) where: Base-Base interactions energy: -39.114 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.058 local terms energy: -29.197005 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -64.548559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.548559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.548559 (E_RNA) where: Base-Base interactions energy: -33.579 where: short stacking energy: -20.847 Base-Backbone interact. energy: -0.019 local terms energy: -30.950211 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -56.387218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.387218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.387218 (E_RNA) where: Base-Base interactions energy: -21.233 where: short stacking energy: -18.692 Base-Backbone interact. energy: -0.001 local terms energy: -35.153051 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.107 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -56.199189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.199189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.199189 (E_RNA) where: Base-Base interactions energy: -26.941 where: short stacking energy: -17.931 Base-Backbone interact. energy: -0.073 local terms energy: -29.185115 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -4.700 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: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -56.183861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.183861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.183861 (E_RNA) where: Base-Base interactions energy: -20.891 where: short stacking energy: -20.891 Base-Backbone interact. energy: -0.004 local terms energy: -35.289336 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -42.851415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.851415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.851415 (E_RNA) where: Base-Base interactions energy: -16.458 where: short stacking energy: -11.330 Base-Backbone interact. energy: -0.073 local terms energy: -26.320183 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -3.259 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: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -50.196797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.196797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.196797 (E_RNA) where: Base-Base interactions energy: -18.290 where: short stacking energy: -18.290 Base-Backbone interact. energy: -0.001 local terms energy: -31.906551 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -5.908 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: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -45.250551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.250551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.250551 (E_RNA) where: Base-Base interactions energy: -16.667 where: short stacking energy: -16.667 Base-Backbone interact. energy: -0.039 local terms energy: -28.544423 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -42.488649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.488649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.488649 (E_RNA) where: Base-Base interactions energy: -14.659 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.008 local terms energy: -27.821803 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -2.933 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: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -47.062039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.062039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.062039 (E_RNA) where: Base-Base interactions energy: -15.433 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.057 local terms energy: -31.572321 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -6.397 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: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -64.264795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.264795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.264795 (E_RNA) where: Base-Base interactions energy: -31.391 where: short stacking energy: -30.322 Base-Backbone interact. energy: -0.000 local terms energy: -32.873941 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -64.509277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.509277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.509277 (E_RNA) where: Base-Base interactions energy: -26.028 where: short stacking energy: -26.028 Base-Backbone interact. energy: -1.108 local terms energy: -37.373158 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -54.157643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.157643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.157643 (E_RNA) where: Base-Base interactions energy: -21.610 where: short stacking energy: -21.610 Base-Backbone interact. energy: -0.055 local terms energy: -32.492602 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -58.215781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.215781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.215781 (E_RNA) where: Base-Base interactions energy: -20.759 where: short stacking energy: -20.759 Base-Backbone interact. energy: -0.001 local terms energy: -37.455933 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -58.617624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.617624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.617624 (E_RNA) where: Base-Base interactions energy: -27.671 where: short stacking energy: -21.540 Base-Backbone interact. energy: -0.002 local terms energy: -30.944241 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.901 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: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -47.886246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.886246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.886246 (E_RNA) where: Base-Base interactions energy: -20.269 where: short stacking energy: -19.006 Base-Backbone interact. energy: -0.037 local terms energy: -27.580197 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -5.241 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: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -51.527160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.527160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.527160 (E_RNA) where: Base-Base interactions energy: -22.581 where: short stacking energy: -22.581 Base-Backbone interact. energy: -0.001 local terms energy: -28.945147 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -49.904336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.904336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.904336 (E_RNA) where: Base-Base interactions energy: -22.805 where: short stacking energy: -19.259 Base-Backbone interact. energy: -0.047 local terms energy: -27.052302 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.540 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -41.085181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.085181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.085181 (E_RNA) where: Base-Base interactions energy: -17.712 where: short stacking energy: -17.712 Base-Backbone interact. energy: -0.037 local terms energy: -23.336182 where: bonds (distance) C4'-P energy: -2.416 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -40.609142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.609142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.609142 (E_RNA) where: Base-Base interactions energy: -18.777 where: short stacking energy: -18.777 Base-Backbone interact. energy: -0.000 local terms energy: -21.831912 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -1.538 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: 1, replica: 6 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -59.612393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.612393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.612393 (E_RNA) where: Base-Base interactions energy: -27.101 where: short stacking energy: -25.310 Base-Backbone interact. energy: -0.022 local terms energy: -32.489457 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -73.844049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.844049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.844049 (E_RNA) where: Base-Base interactions energy: -37.612 where: short stacking energy: -37.612 Base-Backbone interact. energy: -0.000 local terms energy: -36.232515 where: bonds (distance) C4'-P energy: -7.208 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -10.916 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: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -61.329385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.329385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.329385 (E_RNA) where: Base-Base interactions energy: -31.434 where: short stacking energy: -16.114 Base-Backbone interact. energy: -0.002 local terms energy: -29.893856 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -4.510 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: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -56.387174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.387174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.387174 (E_RNA) where: Base-Base interactions energy: -23.230 where: short stacking energy: -23.230 Base-Backbone interact. energy: -0.009 local terms energy: -33.148704 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -54.468034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.468034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.468034 (E_RNA) where: Base-Base interactions energy: -23.795 where: short stacking energy: -15.987 Base-Backbone interact. energy: -0.009 local terms energy: -30.663528 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -3.274 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: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -63.277143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.277143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.277143 (E_RNA) where: Base-Base interactions energy: -34.402 where: short stacking energy: -23.322 Base-Backbone interact. energy: -0.005 local terms energy: -28.870387 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -42.756045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.756045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.756045 (E_RNA) where: Base-Base interactions energy: -16.573 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.840 local terms energy: -25.343611 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: 2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -39.909790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.909790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.909790 (E_RNA) where: Base-Base interactions energy: -14.705 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.118 local terms energy: -25.087094 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -38.308099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.308099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.308099 (E_RNA) where: Base-Base interactions energy: -14.730 where: short stacking energy: -14.730 Base-Backbone interact. energy: -0.160 local terms energy: -23.418002 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -45.148409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.148409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.148409 (E_RNA) where: Base-Base interactions energy: -14.190 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.011 local terms energy: -30.947246 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -65.184013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.184013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.184013 (E_RNA) where: Base-Base interactions energy: -28.352 where: short stacking energy: -28.352 Base-Backbone interact. energy: -0.000 local terms energy: -36.831957 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -77.436565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.436565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.436565 (E_RNA) where: Base-Base interactions energy: -42.916 where: short stacking energy: -28.921 Base-Backbone interact. energy: -0.543 local terms energy: -33.978076 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -5.565 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: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -58.409547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.409547 (E_RNA) where: Base-Base interactions energy: -24.048 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.001 local terms energy: -34.360149 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -56.093081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.093081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.093081 (E_RNA) where: Base-Base interactions energy: -22.514 where: short stacking energy: -22.514 Base-Backbone interact. energy: -0.017 local terms energy: -33.562226 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -49.551620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.551620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.551620 (E_RNA) where: Base-Base interactions energy: -25.270 where: short stacking energy: -20.588 Base-Backbone interact. energy: 0.191 local terms energy: -24.472189 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -0.662 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: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -47.086216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.086216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.086216 (E_RNA) where: Base-Base interactions energy: -20.501 where: short stacking energy: -5.784 Base-Backbone interact. energy: -0.137 local terms energy: -26.447781 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -0.200 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: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -57.705431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.705431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.705431 (E_RNA) where: Base-Base interactions energy: -28.945 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.003 local terms energy: -28.757624 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -3.512 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -47.276357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.276357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.276357 (E_RNA) where: Base-Base interactions energy: -16.763 where: short stacking energy: -15.939 Base-Backbone interact. energy: -0.030 local terms energy: -30.483065 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -43.471722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.471722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.471722 (E_RNA) where: Base-Base interactions energy: -16.861 where: short stacking energy: -16.861 Base-Backbone interact. energy: -0.035 local terms energy: -26.575655 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -2.783 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: 121 Temperature: 1.350000 Total energy: -41.460138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.460138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.460138 (E_RNA) where: Base-Base interactions energy: -12.752 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.000 local terms energy: -28.708281 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -72.119339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.119339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.119339 (E_RNA) where: Base-Base interactions energy: -35.824 where: short stacking energy: -25.377 Base-Backbone interact. energy: -0.011 local terms energy: -36.284197 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -5.506 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: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -60.254383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.254383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.254383 (E_RNA) where: Base-Base interactions energy: -24.388 where: short stacking energy: -20.750 Base-Backbone interact. energy: 0.663 local terms energy: -36.528967 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -58.648203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.648203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.648203 (E_RNA) where: Base-Base interactions energy: -23.872 where: short stacking energy: -23.872 Base-Backbone interact. energy: -0.020 local terms energy: -34.756163 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -7.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -51.952504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.952504 (E_RNA) where: Base-Base interactions energy: -18.937 where: short stacking energy: -18.937 Base-Backbone interact. energy: 1.135 local terms energy: -34.150324 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -6.847 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: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -52.232694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.232694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.232694 (E_RNA) where: Base-Base interactions energy: -23.118 where: short stacking energy: -23.118 Base-Backbone interact. energy: -0.014 local terms energy: -29.101402 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -55.323934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.323934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.323934 (E_RNA) where: Base-Base interactions energy: -19.672 where: short stacking energy: -19.672 Base-Backbone interact. energy: -0.075 local terms energy: -35.576983 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -45.055100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.055100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.055100 (E_RNA) where: Base-Base interactions energy: -16.778 where: short stacking energy: -16.778 Base-Backbone interact. energy: -0.035 local terms energy: -28.242598 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -5.108 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: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -46.040752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.040752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.040752 (E_RNA) where: Base-Base interactions energy: -18.394 where: short stacking energy: -18.394 Base-Backbone interact. energy: -0.001 local terms energy: -27.646612 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -3.216 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -44.315592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.315592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.315592 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -13.886 Base-Backbone interact. energy: -0.038 local terms energy: -30.303294 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -40.521148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.521148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.521148 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.001 local terms energy: -23.920017 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -79.179333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.179333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.179333 (E_RNA) where: Base-Base interactions energy: -47.501 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.010 local terms energy: -31.668729 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -61.877709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.877709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.877709 (E_RNA) where: Base-Base interactions energy: -27.155 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.000 local terms energy: -34.721964 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -5.010 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: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -53.933864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.933864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.933864 (E_RNA) where: Base-Base interactions energy: -21.472 where: short stacking energy: -21.472 Base-Backbone interact. energy: -0.008 local terms energy: -32.454107 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -51.191410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.191410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.191410 (E_RNA) where: Base-Base interactions energy: -19.663 where: short stacking energy: -19.663 Base-Backbone interact. energy: -0.095 local terms energy: -31.433708 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -3.946 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: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -64.473027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.473027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.473027 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -25.659 Base-Backbone interact. energy: -0.000 local terms energy: -38.417480 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -48.840105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.840105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.840105 (E_RNA) where: Base-Base interactions energy: -16.936 where: short stacking energy: -16.936 Base-Backbone interact. energy: -0.010 local terms energy: -31.894418 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -42.468990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.468990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.468990 (E_RNA) where: Base-Base interactions energy: -15.349 where: short stacking energy: -15.349 Base-Backbone interact. energy: -0.036 local terms energy: -27.084119 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -4.103 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -41.246687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.246687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.246687 (E_RNA) where: Base-Base interactions energy: -16.812 where: short stacking energy: -16.812 Base-Backbone interact. energy: -0.051 local terms energy: -24.383870 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -38.815238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.815238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.815238 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.026 local terms energy: -29.238616 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -6.137 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: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -38.851362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.851362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.851362 (E_RNA) where: Base-Base interactions energy: -16.293 where: short stacking energy: -16.293 Base-Backbone interact. energy: -0.003 local terms energy: -22.555157 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -75.100361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.100361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.100361 (E_RNA) where: Base-Base interactions energy: -40.666 where: short stacking energy: -19.851 Base-Backbone interact. energy: -0.059 local terms energy: -34.375203 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -6.526 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: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -59.510970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.510970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.510970 (E_RNA) where: Base-Base interactions energy: -23.621 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.000 local terms energy: -35.890080 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -56.166455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.166455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.166455 (E_RNA) where: Base-Base interactions energy: -22.264 where: short stacking energy: -22.264 Base-Backbone interact. energy: -0.034 local terms energy: -33.868078 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -51.733583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.733583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.733583 (E_RNA) where: Base-Base interactions energy: -20.412 where: short stacking energy: -19.923 Base-Backbone interact. energy: -0.002 local terms energy: -31.319872 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -63.059234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.059234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.059234 (E_RNA) where: Base-Base interactions energy: -28.942 where: short stacking energy: -28.942 Base-Backbone interact. energy: -0.000 local terms energy: -34.116765 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -57.938624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.938624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.938624 (E_RNA) where: Base-Base interactions energy: -26.163 where: short stacking energy: -20.731 Base-Backbone interact. energy: -0.056 local terms energy: -31.718850 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -52.798764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.798764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.798764 (E_RNA) where: Base-Base interactions energy: -23.214 where: short stacking energy: -23.914 Base-Backbone interact. energy: -0.020 local terms energy: -29.564192 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -48.995427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.995427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.995427 (E_RNA) where: Base-Base interactions energy: -18.882 where: short stacking energy: -18.882 Base-Backbone interact. energy: -0.000 local terms energy: -30.113207 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -41.617291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.617291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.617291 (E_RNA) where: Base-Base interactions energy: -9.146 where: short stacking energy: -9.146 Base-Backbone interact. energy: -0.027 local terms energy: -32.444895 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -6.019 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: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -51.412338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.412338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.412338 (E_RNA) where: Base-Base interactions energy: -20.694 where: short stacking energy: -20.609 Base-Backbone interact. energy: -0.006 local terms energy: -30.712798 where: bonds (distance) C4'-P energy: -2.111 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -6.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -80.202034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.202034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.202034 (E_RNA) where: Base-Base interactions energy: -42.815 where: short stacking energy: -24.671 Base-Backbone interact. energy: -0.014 local terms energy: -37.372892 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -63.090461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.090461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.090461 (E_RNA) where: Base-Base interactions energy: -27.773 where: short stacking energy: -27.773 Base-Backbone interact. energy: -0.006 local terms energy: -35.311737 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -64.384553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.384553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.384553 (E_RNA) where: Base-Base interactions energy: -29.409 where: short stacking energy: -29.409 Base-Backbone interact. energy: -0.001 local terms energy: -34.974738 where: bonds (distance) C4'-P energy: -6.857 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -58.959676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.959676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.959676 (E_RNA) where: Base-Base interactions energy: -25.929 where: short stacking energy: -25.929 Base-Backbone interact. energy: -0.096 local terms energy: -32.934331 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -60.336717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.336717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.336717 (E_RNA) where: Base-Base interactions energy: -26.899 where: short stacking energy: -26.899 Base-Backbone interact. energy: -0.003 local terms energy: -33.435226 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -57.313770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.313770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.313770 (E_RNA) where: Base-Base interactions energy: -20.762 where: short stacking energy: -16.556 Base-Backbone interact. energy: -1.499 local terms energy: -35.053078 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -55.696785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.696785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.696785 (E_RNA) where: Base-Base interactions energy: -27.418 where: short stacking energy: -17.229 Base-Backbone interact. energy: -0.067 local terms energy: -28.211763 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.211 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: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -44.688851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.688851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.688851 (E_RNA) where: Base-Base interactions energy: -17.483 where: short stacking energy: -17.483 Base-Backbone interact. energy: 1.109 local terms energy: -28.315141 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -5.753 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: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -46.817875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.817875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.817875 (E_RNA) where: Base-Base interactions energy: -22.660 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.003 local terms energy: -24.154915 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -5.287 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: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -48.669901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.669901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.669901 (E_RNA) where: Base-Base interactions energy: -16.791 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.021 local terms energy: -31.858001 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -63.558059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.558059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.558059 (E_RNA) where: Base-Base interactions energy: -26.903 where: short stacking energy: -22.639 Base-Backbone interact. energy: -0.493 local terms energy: -36.162542 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -71.261305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.261305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.261305 (E_RNA) where: Base-Base interactions energy: -38.483 where: short stacking energy: -27.544 Base-Backbone interact. energy: -0.000 local terms energy: -32.778516 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -62.371157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.371157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.371157 (E_RNA) where: Base-Base interactions energy: -29.238 where: short stacking energy: -29.238 Base-Backbone interact. energy: -0.000 local terms energy: -33.133200 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -10.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -60.500571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.500571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.500571 (E_RNA) where: Base-Base interactions energy: -27.503 where: short stacking energy: -27.503 Base-Backbone interact. energy: -0.000 local terms energy: -32.997612 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -59.684665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.684665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.684665 (E_RNA) where: Base-Base interactions energy: -28.890 where: short stacking energy: -22.662 Base-Backbone interact. energy: -0.001 local terms energy: -30.794057 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -3.642 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: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -57.657966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.657966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.657966 (E_RNA) where: Base-Base interactions energy: -26.493 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.000 local terms energy: -31.164692 where: bonds (distance) C4'-P energy: -3.154 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -52.099815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.099815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.099815 (E_RNA) where: Base-Base interactions energy: -18.024 where: short stacking energy: -18.024 Base-Backbone interact. energy: -0.000 local terms energy: -34.076044 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -7.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -43.137424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.137424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.137424 (E_RNA) where: Base-Base interactions energy: -16.215 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.049 local terms energy: -26.873631 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -40.568782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.568782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.568782 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -8.690 Base-Backbone interact. energy: -0.062 local terms energy: -29.093004 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -5.477 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: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -40.746287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746287 (E_RNA) where: Base-Base interactions energy: -15.717 where: short stacking energy: -15.717 Base-Backbone interact. energy: -0.029 local terms energy: -25.000571 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -57.159478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.159478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.159478 (E_RNA) where: Base-Base interactions energy: -23.744 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.016 local terms energy: -33.399131 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -3.462 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: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -65.569840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.569840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.569840 (E_RNA) where: Base-Base interactions energy: -27.118 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.000 local terms energy: -38.451436 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -8.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -62.095899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.095899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.095899 (E_RNA) where: Base-Base interactions energy: -26.651 where: short stacking energy: -26.651 Base-Backbone interact. energy: 0.165 local terms energy: -35.609734 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -62.562536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.562536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.562536 (E_RNA) where: Base-Base interactions energy: -28.248 where: short stacking energy: -28.248 Base-Backbone interact. energy: -0.000 local terms energy: -34.314140 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -7.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -53.007980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.007980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.007980 (E_RNA) where: Base-Base interactions energy: -23.040 where: short stacking energy: -23.040 Base-Backbone interact. energy: -0.004 local terms energy: -29.964154 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -3.366 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: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -65.387224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.387224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.387224 (E_RNA) where: Base-Base interactions energy: -27.402 where: short stacking energy: -27.402 Base-Backbone interact. energy: -0.000 local terms energy: -37.985553 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -46.392400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.392400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.392400 (E_RNA) where: Base-Base interactions energy: -20.160 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.052 local terms energy: -26.179822 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.861 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: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -41.757413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.757413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.757413 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.013 Base-Backbone interact. energy: -0.296 local terms energy: -28.091101 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.370 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -6.370 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: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -48.273527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.273527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.273527 (E_RNA) where: Base-Base interactions energy: -18.152 where: short stacking energy: -14.938 Base-Backbone interact. energy: -1.017 local terms energy: -29.103949 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -38.576507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.576507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.576507 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.075 local terms energy: -25.973274 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -2.199 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: 128 Temperature: 0.900000 Total energy: -61.803482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.803482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.803482 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.000 local terms energy: -34.758102 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -6.835 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: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -64.835207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.835207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.835207 (E_RNA) where: Base-Base interactions energy: -28.751 where: short stacking energy: -28.751 Base-Backbone interact. energy: -0.000 local terms energy: -36.084358 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -8.535 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: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -73.636023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.636023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.636023 (E_RNA) where: Base-Base interactions energy: -32.709 where: short stacking energy: -30.821 Base-Backbone interact. energy: -0.000 local terms energy: -40.926913 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -53.590041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.590041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.590041 (E_RNA) where: Base-Base interactions energy: -22.254 where: short stacking energy: -22.254 Base-Backbone interact. energy: -0.001 local terms energy: -31.334401 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -60.231726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.231726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.231726 (E_RNA) where: Base-Base interactions energy: -27.192 where: short stacking energy: -27.192 Base-Backbone interact. energy: -0.000 local terms energy: -33.039228 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -49.473855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.473855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.473855 (E_RNA) where: Base-Base interactions energy: -18.047 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.015 local terms energy: -31.411644 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -7.121 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: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -49.749189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.749189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.749189 (E_RNA) where: Base-Base interactions energy: -19.767 where: short stacking energy: -19.767 Base-Backbone interact. energy: -0.075 local terms energy: -29.907366 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.955 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: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -49.661234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.661234 (E_RNA) where: Base-Base interactions energy: -18.869 where: short stacking energy: -18.869 Base-Backbone interact. energy: -0.046 local terms energy: -30.746371 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.518 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -52.493140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.493140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.493140 (E_RNA) where: Base-Base interactions energy: -26.137 where: short stacking energy: -26.137 Base-Backbone interact. energy: -0.019 local terms energy: -26.336575 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.794 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -44.328729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.328729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.328729 (E_RNA) where: Base-Base interactions energy: -17.601 where: short stacking energy: -17.601 Base-Backbone interact. energy: -0.000 local terms energy: -26.727770 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -70.812069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.812069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.812069 (E_RNA) where: Base-Base interactions energy: -30.363 where: short stacking energy: -30.363 Base-Backbone interact. energy: -0.006 local terms energy: -40.443441 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -8.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -70.937151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.937151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.937151 (E_RNA) where: Base-Base interactions energy: -28.653 where: short stacking energy: -28.653 Base-Backbone interact. energy: -0.001 local terms energy: -42.283616 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -10.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -57.667304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.667304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.667304 (E_RNA) where: Base-Base interactions energy: -24.670 where: short stacking energy: -24.670 Base-Backbone interact. energy: -0.007 local terms energy: -32.990469 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -6.468 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: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -56.108589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.108589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.108589 (E_RNA) where: Base-Base interactions energy: -22.541 where: short stacking energy: -22.541 Base-Backbone interact. energy: -0.000 local terms energy: -33.567474 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -57.441779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.441779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.441779 (E_RNA) where: Base-Base interactions energy: -22.755 where: short stacking energy: -22.042 Base-Backbone interact. energy: -0.123 local terms energy: -34.563273 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -5.507 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: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -49.399258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.399258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.399258 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.001 local terms energy: -32.487051 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -61.120985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.120985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.120985 (E_RNA) where: Base-Base interactions energy: -27.182 where: short stacking energy: -27.182 Base-Backbone interact. energy: -0.000 local terms energy: -33.938707 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -8.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -46.293350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.293350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.293350 (E_RNA) where: Base-Base interactions energy: -18.306 where: short stacking energy: -18.306 Base-Backbone interact. energy: -0.000 local terms energy: -27.987195 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -44.476597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476597 (E_RNA) where: Base-Base interactions energy: -15.535 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.013 local terms energy: -28.929496 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -1.764 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: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -46.785751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.785751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.785751 (E_RNA) where: Base-Base interactions energy: -15.603 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.000 local terms energy: -31.182409 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -70.846934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.846934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.846934 (E_RNA) where: Base-Base interactions energy: -35.522 where: short stacking energy: -28.520 Base-Backbone interact. energy: -0.000 local terms energy: -35.325251 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -55.789925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.789925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.789925 (E_RNA) where: Base-Base interactions energy: -21.422 where: short stacking energy: -21.422 Base-Backbone interact. energy: -0.047 local terms energy: -34.320932 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -4.780 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: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -57.700498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.700498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.700498 (E_RNA) where: Base-Base interactions energy: -23.512 where: short stacking energy: -23.512 Base-Backbone interact. energy: -0.011 local terms energy: -34.178030 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -60.195085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.195085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.195085 (E_RNA) where: Base-Base interactions energy: -31.862 where: short stacking energy: -25.001 Base-Backbone interact. energy: -0.003 local terms energy: -28.329889 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -45.931490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.931490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.931490 (E_RNA) where: Base-Base interactions energy: -16.553 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.007 local terms energy: -29.371982 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.020 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: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -48.970277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.970277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.970277 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.405 local terms energy: -32.174624 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.067 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: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -60.183799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.183799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.183799 (E_RNA) where: Base-Base interactions energy: -28.300 where: short stacking energy: -16.474 Base-Backbone interact. energy: -0.092 local terms energy: -31.791884 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -45.856744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.856744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.856744 (E_RNA) where: Base-Base interactions energy: -18.244 where: short stacking energy: -18.244 Base-Backbone interact. energy: -0.036 local terms energy: -27.577076 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -3.003 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -41.141851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.141851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.141851 (E_RNA) where: Base-Base interactions energy: -17.900 where: short stacking energy: -17.900 Base-Backbone interact. energy: -0.000 local terms energy: -23.241669 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: 2.255 tors. eta vs tors. theta energy: -5.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -45.053779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.053779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.053779 (E_RNA) where: Base-Base interactions energy: -18.498 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.052 local terms energy: -26.504112 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -71.345038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.345038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.345038 (E_RNA) where: Base-Base interactions energy: -30.859 where: short stacking energy: -30.859 Base-Backbone interact. energy: -0.000 local terms energy: -40.485849 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -11.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -54.614770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.614770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.614770 (E_RNA) where: Base-Base interactions energy: -21.843 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.107 local terms energy: -32.664771 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -59.062427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.062427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.062427 (E_RNA) where: Base-Base interactions energy: -26.774 where: short stacking energy: -26.774 Base-Backbone interact. energy: -0.006 local terms energy: -32.283135 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -56.223072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.223072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.223072 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -23.316 Base-Backbone interact. energy: -0.000 local terms energy: -32.906883 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -5.692 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: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -47.833953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.833953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.833953 (E_RNA) where: Base-Base interactions energy: -19.365 where: short stacking energy: -10.777 Base-Backbone interact. energy: -1.051 local terms energy: -27.418392 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.136 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -46.869912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.869912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.869912 (E_RNA) where: Base-Base interactions energy: -16.048 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.094 local terms energy: -30.728291 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -2.518 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -45.774673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.774673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.774673 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.441 Base-Backbone interact. energy: 0.299 local terms energy: -28.223470 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: 0.198 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -45.673614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.673614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.673614 (E_RNA) where: Base-Base interactions energy: -20.117 where: short stacking energy: -18.841 Base-Backbone interact. energy: 0.792 local terms energy: -26.348212 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -40.218791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.218791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.218791 (E_RNA) where: Base-Base interactions energy: -14.192 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.168 local terms energy: -25.858152 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -47.880479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.880479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.880479 (E_RNA) where: Base-Base interactions energy: -19.256 where: short stacking energy: -19.256 Base-Backbone interact. energy: -0.096 local terms energy: -28.528700 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.774 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: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -61.984796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.984796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.984796 (E_RNA) where: Base-Base interactions energy: -26.916 where: short stacking energy: -26.916 Base-Backbone interact. energy: -0.030 local terms energy: -35.039216 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -56.789475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.789475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.789475 (E_RNA) where: Base-Base interactions energy: -23.920 where: short stacking energy: -23.920 Base-Backbone interact. energy: -0.084 local terms energy: -32.786288 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.307 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -54.122962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.122962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.122962 (E_RNA) where: Base-Base interactions energy: -23.267 where: short stacking energy: -23.267 Base-Backbone interact. energy: -0.021 local terms energy: -30.835272 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -57.939860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.939860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.939860 (E_RNA) where: Base-Base interactions energy: -24.975 where: short stacking energy: -24.975 Base-Backbone interact. energy: -0.003 local terms energy: -32.961683 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.754 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -51.710984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.710984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.710984 (E_RNA) where: Base-Base interactions energy: -26.807 where: short stacking energy: -12.884 Base-Backbone interact. energy: -0.092 local terms energy: -24.812656 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -5.086 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: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -49.917052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.917052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.917052 (E_RNA) where: Base-Base interactions energy: -17.742 where: short stacking energy: -13.505 Base-Backbone interact. energy: -0.170 local terms energy: -32.004590 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -6.206 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: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -44.640299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.640299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.640299 (E_RNA) where: Base-Base interactions energy: -14.233 where: short stacking energy: -14.233 Base-Backbone interact. energy: -0.101 local terms energy: -30.306633 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -6.470 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: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -45.852961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.852961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.852961 (E_RNA) where: Base-Base interactions energy: -17.218 where: short stacking energy: -17.218 Base-Backbone interact. energy: -0.002 local terms energy: -28.633444 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -6.638 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: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -43.213597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.213597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.213597 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.001 local terms energy: -31.050760 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -6.888 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: 10, replica: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -47.232561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.232561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.232561 (E_RNA) where: Base-Base interactions energy: -18.912 where: short stacking energy: -18.912 Base-Backbone interact. energy: -0.008 local terms energy: -28.312068 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -69.851524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.851524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.851524 (E_RNA) where: Base-Base interactions energy: -30.213 where: short stacking energy: -30.213 Base-Backbone interact. energy: 0.262 local terms energy: -39.900614 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -8.927 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: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -70.519280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.519280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.519280 (E_RNA) where: Base-Base interactions energy: -35.470 where: short stacking energy: -21.243 Base-Backbone interact. energy: -0.762 local terms energy: -34.287680 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -3.376 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: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -57.805926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.805926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.805926 (E_RNA) where: Base-Base interactions energy: -26.976 where: short stacking energy: -26.976 Base-Backbone interact. energy: -0.004 local terms energy: -30.826098 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -6.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -57.948230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.948230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.948230 (E_RNA) where: Base-Base interactions energy: -27.318 where: short stacking energy: -27.318 Base-Backbone interact. energy: -0.027 local terms energy: -30.602753 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -44.926635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.926635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.926635 (E_RNA) where: Base-Base interactions energy: -18.285 where: short stacking energy: -18.285 Base-Backbone interact. energy: -0.012 local terms energy: -26.629553 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.680 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -45.077542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.077542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.077542 (E_RNA) where: Base-Base interactions energy: -20.543 where: short stacking energy: -20.543 Base-Backbone interact. energy: -0.200 local terms energy: -24.335345 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -2.648 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: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -48.009587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.009587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.009587 (E_RNA) where: Base-Base interactions energy: -18.065 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.000 local terms energy: -29.944418 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.118 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: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -46.833397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.833397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.833397 (E_RNA) where: Base-Base interactions energy: -18.083 where: short stacking energy: -18.083 Base-Backbone interact. energy: -0.001 local terms energy: -28.749555 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -1.766 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: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -44.003901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.003901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.003901 (E_RNA) where: Base-Base interactions energy: -18.390 where: short stacking energy: -12.989 Base-Backbone interact. energy: 0.869 local terms energy: -26.482766 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -40.678292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.678292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.678292 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.084 local terms energy: -24.183095 where: bonds (distance) C4'-P energy: -4.091 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -75.601007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.601007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.601007 (E_RNA) where: Base-Base interactions energy: -40.150 where: short stacking energy: -29.058 Base-Backbone interact. energy: -0.177 local terms energy: -35.274336 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -7.448 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: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -64.692441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.692441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.692441 (E_RNA) where: Base-Base interactions energy: -36.676 where: short stacking energy: -15.621 Base-Backbone interact. energy: -0.001 local terms energy: -28.014978 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -0.851 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -53.737734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.737734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.737734 (E_RNA) where: Base-Base interactions energy: -23.429 where: short stacking energy: -17.052 Base-Backbone interact. energy: -0.084 local terms energy: -30.224793 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.672 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -52.056006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.056006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.056006 (E_RNA) where: Base-Base interactions energy: -20.265 where: short stacking energy: -20.265 Base-Backbone interact. energy: -0.174 local terms energy: -31.617316 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -53.075794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.075794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.075794 (E_RNA) where: Base-Base interactions energy: -20.560 where: short stacking energy: -20.118 Base-Backbone interact. energy: -0.459 local terms energy: -32.056678 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -5.069 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: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -47.536251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.536251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.536251 (E_RNA) where: Base-Base interactions energy: -16.546 where: short stacking energy: -16.330 Base-Backbone interact. energy: 1.803 local terms energy: -32.793396 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -6.580 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: 134 Temperature: 1.200000 Total energy: -49.821486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.821486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.821486 (E_RNA) where: Base-Base interactions energy: -23.168 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.086 local terms energy: -26.567636 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.019 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: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -41.325421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.325421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.325421 (E_RNA) where: Base-Base interactions energy: -9.765 where: short stacking energy: -9.765 Base-Backbone interact. energy: -0.100 local terms energy: -31.461232 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -38.407606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.407606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.407606 (E_RNA) where: Base-Base interactions energy: -11.758 where: short stacking energy: -11.758 Base-Backbone interact. energy: 0.730 local terms energy: -27.379100 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: 1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -38.739332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.739332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.739332 (E_RNA) where: Base-Base interactions energy: -8.438 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.002 local terms energy: -30.299073 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -82.526307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.526307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.526307 (E_RNA) where: Base-Base interactions energy: -44.488 where: short stacking energy: -26.438 Base-Backbone interact. energy: -0.003 local terms energy: -38.035856 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -6.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -59.166900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.166900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.166900 (E_RNA) where: Base-Base interactions energy: -22.098 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.000 local terms energy: -37.068555 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -5.875 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: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -63.182679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.182679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.182679 (E_RNA) where: Base-Base interactions energy: -27.271 where: short stacking energy: -27.271 Base-Backbone interact. energy: -0.094 local terms energy: -35.817852 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -8.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -52.473880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.473880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.473880 (E_RNA) where: Base-Base interactions energy: -19.827 where: short stacking energy: -19.827 Base-Backbone interact. energy: -0.026 local terms energy: -32.620000 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -3.796 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: 5, replica: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -52.009029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.009029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.009029 (E_RNA) where: Base-Base interactions energy: -19.220 where: short stacking energy: -19.220 Base-Backbone interact. energy: -0.036 local terms energy: -32.753042 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -4.149 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: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -49.957155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.957155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.957155 (E_RNA) where: Base-Base interactions energy: -19.592 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.001 local terms energy: -30.363615 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.914 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: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -54.408113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.408113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.408113 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.060 local terms energy: -32.697920 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.975 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -54.695366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.695366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.695366 (E_RNA) where: Base-Base interactions energy: -21.589 where: short stacking energy: -21.589 Base-Backbone interact. energy: 1.725 local terms energy: -34.832147 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -9.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -49.787064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.787064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.787064 (E_RNA) where: Base-Base interactions energy: -14.180 where: short stacking energy: -14.180 Base-Backbone interact. energy: -0.000 local terms energy: -35.607492 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -5.638 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: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -45.330046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.330046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.330046 (E_RNA) where: Base-Base interactions energy: -21.122 where: short stacking energy: -20.677 Base-Backbone interact. energy: -0.022 local terms energy: -24.185907 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -1.229 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: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -78.668292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.668292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.668292 (E_RNA) where: Base-Base interactions energy: -46.480 where: short stacking energy: -26.437 Base-Backbone interact. energy: -0.002 local terms energy: -32.186469 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -3.348 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: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -62.763875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.763875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.763875 (E_RNA) where: Base-Base interactions energy: -26.741 where: short stacking energy: -26.741 Base-Backbone interact. energy: -0.094 local terms energy: -35.928729 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -6.987 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: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -59.724581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.724581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.724581 (E_RNA) where: Base-Base interactions energy: -25.888 where: short stacking energy: -25.888 Base-Backbone interact. energy: -0.000 local terms energy: -33.836532 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -60.166037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.166037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.166037 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.036 local terms energy: -37.261814 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -55.585380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.585380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.585380 (E_RNA) where: Base-Base interactions energy: -20.585 where: short stacking energy: -20.535 Base-Backbone interact. energy: -0.001 local terms energy: -34.999885 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -51.455227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.455227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.455227 (E_RNA) where: Base-Base interactions energy: -22.651 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.002 local terms energy: -28.802183 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.578 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: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -45.917165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.917165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.917165 (E_RNA) where: Base-Base interactions energy: -21.943 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.056 local terms energy: -23.918541 where: bonds (distance) C4'-P energy: -6.424 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.258 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: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -50.784299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.784299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.784299 (E_RNA) where: Base-Base interactions energy: -17.964 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.001 local terms energy: -32.819181 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -47.659140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.659140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.659140 (E_RNA) where: Base-Base interactions energy: -15.976 where: short stacking energy: -15.976 Base-Backbone interact. energy: -0.006 local terms energy: -31.677081 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -42.155669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.155669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.155669 (E_RNA) where: Base-Base interactions energy: -15.591 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.060 local terms energy: -26.505386 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -4.955 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: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -62.360625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.360625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.360625 (E_RNA) where: Base-Base interactions energy: -26.533 where: short stacking energy: -23.192 Base-Backbone interact. energy: -0.005 local terms energy: -35.822852 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -5.776 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -56.248668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.248668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.248668 (E_RNA) where: Base-Base interactions energy: -26.197 where: short stacking energy: -26.197 Base-Backbone interact. energy: -0.000 local terms energy: -30.051138 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.153 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -69.134712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.134712 (E_RNA) where: Base-Base interactions energy: -37.638 where: short stacking energy: -20.215 Base-Backbone interact. energy: -0.366 local terms energy: -31.131552 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -52.551852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.551852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.551852 (E_RNA) where: Base-Base interactions energy: -22.643 where: short stacking energy: -13.202 Base-Backbone interact. energy: -0.104 local terms energy: -29.805327 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -0.995 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: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -56.269365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.269365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.269365 (E_RNA) where: Base-Base interactions energy: -23.572 where: short stacking energy: -23.113 Base-Backbone interact. energy: -0.000 local terms energy: -32.697319 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -60.719075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.719075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.719075 (E_RNA) where: Base-Base interactions energy: -25.916 where: short stacking energy: -17.350 Base-Backbone interact. energy: -0.866 local terms energy: -33.936844 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -49.931667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.931667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.931667 (E_RNA) where: Base-Base interactions energy: -19.640 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.107 local terms energy: -30.185344 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.498 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: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -51.520000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.520000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.520000 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: -0.000 local terms energy: -30.723447 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -51.597095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.597095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.597095 (E_RNA) where: Base-Base interactions energy: -24.087 where: short stacking energy: -24.087 Base-Backbone interact. energy: -0.017 local terms energy: -27.492890 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -2.578 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -43.912830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.912830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.912830 (E_RNA) where: Base-Base interactions energy: -16.957 where: short stacking energy: -15.949 Base-Backbone interact. energy: 0.142 local terms energy: -27.098219 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -0.272 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: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -70.248075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.248075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.248075 (E_RNA) where: Base-Base interactions energy: -38.004 where: short stacking energy: -30.282 Base-Backbone interact. energy: -0.001 local terms energy: -32.242564 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -58.896486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.896486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.896486 (E_RNA) where: Base-Base interactions energy: -25.694 where: short stacking energy: -25.694 Base-Backbone interact. energy: -0.000 local terms energy: -33.202556 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.519 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: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -70.116681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.116681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.116681 (E_RNA) where: Base-Base interactions energy: -39.938 where: short stacking energy: -26.583 Base-Backbone interact. energy: -0.001 local terms energy: -30.177195 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -1.673 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -53.033870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.033870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.033870 (E_RNA) where: Base-Base interactions energy: -20.501 where: short stacking energy: -18.184 Base-Backbone interact. energy: -0.170 local terms energy: -32.362718 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -6.459 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: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -61.682430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.682430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.682430 (E_RNA) where: Base-Base interactions energy: -29.483 where: short stacking energy: -24.919 Base-Backbone interact. energy: -0.000 local terms energy: -32.198733 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -8.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -55.795470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.795470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.795470 (E_RNA) where: Base-Base interactions energy: -25.358 where: short stacking energy: -17.444 Base-Backbone interact. energy: -0.012 local terms energy: -30.425595 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -5.493 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: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -46.548217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.548217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.548217 (E_RNA) where: Base-Base interactions energy: -12.760 where: short stacking energy: -12.760 Base-Backbone interact. energy: -0.001 local terms energy: -33.787688 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.439 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: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -43.089786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.089786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.089786 (E_RNA) where: Base-Base interactions energy: -15.859 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.005 local terms energy: -27.225814 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.234 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: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -41.249513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.249513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.249513 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -15.705 Base-Backbone interact. energy: -0.133 local terms energy: -23.688518 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -1.456 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -40.149973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.149973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.149973 (E_RNA) where: Base-Base interactions energy: -14.933 where: short stacking energy: -14.933 Base-Backbone interact. energy: -0.101 local terms energy: -25.116144 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -69.492843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.492843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.492843 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -29.567 Base-Backbone interact. energy: -0.000 local terms energy: -39.925450 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -70.886593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.886593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.886593 (E_RNA) where: Base-Base interactions energy: -39.287 where: short stacking energy: -27.416 Base-Backbone interact. energy: -0.006 local terms energy: -31.593809 where: bonds (distance) C4'-P energy: -6.062 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -61.208452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.208452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.208452 (E_RNA) where: Base-Base interactions energy: -30.363 where: short stacking energy: -19.813 Base-Backbone interact. energy: -0.001 local terms energy: -30.844534 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -52.421450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.421450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.421450 (E_RNA) where: Base-Base interactions energy: -22.165 where: short stacking energy: -22.165 Base-Backbone interact. energy: -0.035 local terms energy: -30.221840 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -47.242285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.242285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.242285 (E_RNA) where: Base-Base interactions energy: -20.002 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.046 local terms energy: -27.194555 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -2.298 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: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -51.292696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.292696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.292696 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.042 local terms energy: -33.233122 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -6.724 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: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -49.004675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.004675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.004675 (E_RNA) where: Base-Base interactions energy: -21.858 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.063 local terms energy: -27.083486 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -44.471342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.471342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.471342 (E_RNA) where: Base-Base interactions energy: -15.590 where: short stacking energy: -15.590 Base-Backbone interact. energy: -0.101 local terms energy: -28.781034 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -47.507356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.507356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.507356 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.001 local terms energy: -29.823038 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.105 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -5.533 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: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -46.275907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.275907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.275907 (E_RNA) where: Base-Base interactions energy: -17.418 where: short stacking energy: -17.418 Base-Backbone interact. energy: -0.047 local terms energy: -28.810960 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.675 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: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -77.686768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.686768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.686768 (E_RNA) where: Base-Base interactions energy: -39.303 where: short stacking energy: -31.342 Base-Backbone interact. energy: -0.001 local terms energy: -38.382890 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -67.513085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.513085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.513085 (E_RNA) where: Base-Base interactions energy: -32.692 where: short stacking energy: -24.960 Base-Backbone interact. energy: -0.084 local terms energy: -34.736507 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -53.351247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.351247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.351247 (E_RNA) where: Base-Base interactions energy: -24.469 where: short stacking energy: -16.021 Base-Backbone interact. energy: -0.065 local terms energy: -28.817649 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -65.308394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.308394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.308394 (E_RNA) where: Base-Base interactions energy: -29.111 where: short stacking energy: -29.111 Base-Backbone interact. energy: -0.000 local terms energy: -36.197241 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -9.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -51.858768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.858768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.858768 (E_RNA) where: Base-Base interactions energy: -23.409 where: short stacking energy: -23.409 Base-Backbone interact. energy: -0.006 local terms energy: -28.444341 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -54.077817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.077817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.077817 (E_RNA) where: Base-Base interactions energy: -27.013 where: short stacking energy: -20.628 Base-Backbone interact. energy: -0.041 local terms energy: -27.023750 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -53.936790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.936790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.936790 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -21.019 Base-Backbone interact. energy: -0.000 local terms energy: -32.917284 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -44.526078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.526078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.526078 (E_RNA) where: Base-Base interactions energy: -18.573 where: short stacking energy: -8.867 Base-Backbone interact. energy: -0.919 local terms energy: -25.033746 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -44.894413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.894413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.894413 (E_RNA) where: Base-Base interactions energy: -16.601 where: short stacking energy: -16.601 Base-Backbone interact. energy: -0.001 local terms energy: -28.291694 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.979 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: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -35.660635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.660635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.660635 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.010 local terms energy: -24.517166 where: bonds (distance) C4'-P energy: -2.897 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.467 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -74.930300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.930300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.930300 (E_RNA) where: Base-Base interactions energy: -34.183 where: short stacking energy: -26.022 Base-Backbone interact. energy: -0.001 local terms energy: -40.745851 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -64.264144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.264144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.264144 (E_RNA) where: Base-Base interactions energy: -28.367 where: short stacking energy: -25.732 Base-Backbone interact. energy: -0.000 local terms energy: -35.897380 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -9.252 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: 141 Temperature: 1.000000 Total energy: -59.924634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.924634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.924634 (E_RNA) where: Base-Base interactions energy: -23.697 where: short stacking energy: -22.450 Base-Backbone interact. energy: -0.001 local terms energy: -36.226945 where: bonds (distance) C4'-P energy: -7.123 bonds (distance) P-C4' energy: -7.769 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -7.955 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -56.271948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.271948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.271948 (E_RNA) where: Base-Base interactions energy: -22.978 where: short stacking energy: -22.978 Base-Backbone interact. energy: -0.012 local terms energy: -33.281930 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -5.747 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: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -53.475894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.475894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.475894 (E_RNA) where: Base-Base interactions energy: -21.514 where: short stacking energy: -21.514 Base-Backbone interact. energy: -0.007 local terms energy: -31.954970 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -49.578495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.578495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.578495 (E_RNA) where: Base-Base interactions energy: -19.284 where: short stacking energy: -19.284 Base-Backbone interact. energy: -0.001 local terms energy: -30.293564 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -43.125738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.125738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.125738 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.010 local terms energy: -26.676007 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -42.857469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.857469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.857469 (E_RNA) where: Base-Base interactions energy: -16.078 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.009 local terms energy: -26.769880 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -45.341058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.341058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.341058 (E_RNA) where: Base-Base interactions energy: -22.740 where: short stacking energy: -22.740 Base-Backbone interact. energy: -0.000 local terms energy: -22.600935 where: bonds (distance) C4'-P energy: -1.945 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.133 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: 10, replica: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -44.377033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.377033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.377033 (E_RNA) where: Base-Base interactions energy: -17.659 where: short stacking energy: -17.659 Base-Backbone interact. energy: -0.118 local terms energy: -26.599697 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -66.577544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.577544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.577544 (E_RNA) where: Base-Base interactions energy: -28.365 where: short stacking energy: -28.365 Base-Backbone interact. energy: -0.001 local terms energy: -38.211675 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -52.274098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.274098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.274098 (E_RNA) where: Base-Base interactions energy: -19.671 where: short stacking energy: -19.671 Base-Backbone interact. energy: -0.026 local terms energy: -32.576521 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -63.868433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.868433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.868433 (E_RNA) where: Base-Base interactions energy: -25.918 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.000 local terms energy: -37.950118 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -7.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -63.974006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.974006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.974006 (E_RNA) where: Base-Base interactions energy: -33.636 where: short stacking energy: -17.015 Base-Backbone interact. energy: -0.381 local terms energy: -29.957103 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -58.519206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.519206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.519206 (E_RNA) where: Base-Base interactions energy: -24.818 where: short stacking energy: -24.818 Base-Backbone interact. energy: -0.002 local terms energy: -33.698539 where: bonds (distance) C4'-P energy: -6.926 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -51.335019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.335019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.335019 (E_RNA) where: Base-Base interactions energy: -19.025 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.025 local terms energy: -32.285453 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -51.404592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.404592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.404592 (E_RNA) where: Base-Base interactions energy: -20.975 where: short stacking energy: -20.975 Base-Backbone interact. energy: -0.021 local terms energy: -30.408335 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -42.261930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.261930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.261930 (E_RNA) where: Base-Base interactions energy: -17.470 where: short stacking energy: -14.909 Base-Backbone interact. energy: -0.084 local terms energy: -24.707327 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.302 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -52.546556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.546556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.546556 (E_RNA) where: Base-Base interactions energy: -24.334 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.565 local terms energy: -27.647836 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -3.921 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -7.081 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: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -40.674570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.674570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.674570 (E_RNA) where: Base-Base interactions energy: -13.205 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.071 local terms energy: -27.399326 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -3.214 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: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -69.641629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.641629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.641629 (E_RNA) where: Base-Base interactions energy: -34.685 where: short stacking energy: -34.685 Base-Backbone interact. energy: -0.009 local terms energy: -34.947436 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -9.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -72.246216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.246216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.246216 (E_RNA) where: Base-Base interactions energy: -35.279 where: short stacking energy: -30.785 Base-Backbone interact. energy: -0.001 local terms energy: -36.966736 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -6.959 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: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -60.760331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.760331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.760331 (E_RNA) where: Base-Base interactions energy: -27.654 where: short stacking energy: -27.654 Base-Backbone interact. energy: -0.000 local terms energy: -33.106142 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -2.296 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -59.876633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.876633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.876633 (E_RNA) where: Base-Base interactions energy: -26.331 where: short stacking energy: -26.331 Base-Backbone interact. energy: -0.000 local terms energy: -33.545931 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -6.996 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -53.293035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.293035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.293035 (E_RNA) where: Base-Base interactions energy: -18.313 where: short stacking energy: -18.313 Base-Backbone interact. energy: -0.003 local terms energy: -34.977304 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.388 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -52.066375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.066375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.066375 (E_RNA) where: Base-Base interactions energy: -17.302 where: short stacking energy: -17.302 Base-Backbone interact. energy: -0.013 local terms energy: -34.752273 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -48.906383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.906383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.906383 (E_RNA) where: Base-Base interactions energy: -19.541 where: short stacking energy: -19.541 Base-Backbone interact. energy: -0.015 local terms energy: -29.350413 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -4.315 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -6.071 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: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -44.225673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.225673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.225673 (E_RNA) where: Base-Base interactions energy: -14.149 where: short stacking energy: -14.149 Base-Backbone interact. energy: -0.020 local terms energy: -30.056817 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -0.537 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: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -44.730835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.730835 (E_RNA) where: Base-Base interactions energy: -14.134 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.101 local terms energy: -30.496086 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -39.866577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.866577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.866577 (E_RNA) where: Base-Base interactions energy: -13.623 where: short stacking energy: -13.623 Base-Backbone interact. energy: -0.194 local terms energy: -26.050028 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -68.218250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.218250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.218250 (E_RNA) where: Base-Base interactions energy: -30.073 where: short stacking energy: -30.035 Base-Backbone interact. energy: -0.000 local terms energy: -38.145015 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -66.745127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.745127 (E_RNA) where: Base-Base interactions energy: -31.704 where: short stacking energy: -31.704 Base-Backbone interact. energy: -0.001 local terms energy: -35.040361 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -5.986 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: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -51.690229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.690229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.690229 (E_RNA) where: Base-Base interactions energy: -17.832 where: short stacking energy: -17.832 Base-Backbone interact. energy: -0.285 local terms energy: -33.572656 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -55.380014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.380014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.380014 (E_RNA) where: Base-Base interactions energy: -21.720 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.001 local terms energy: -33.658181 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -6.446 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: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -47.444029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.444029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.444029 (E_RNA) where: Base-Base interactions energy: -17.484 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.121 local terms energy: -29.839024 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -45.603100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.603100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.603100 (E_RNA) where: Base-Base interactions energy: -18.096 where: short stacking energy: -18.096 Base-Backbone interact. energy: -0.021 local terms energy: -27.485940 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -2.317 flat angles P-C4'-P energy: -6.848 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: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -45.984099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.984099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.984099 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.462 Base-Backbone interact. energy: -0.002 local terms energy: -31.504890 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -4.479 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: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -46.636297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.636297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.636297 (E_RNA) where: Base-Base interactions energy: -24.711 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.171 local terms energy: -21.754271 where: bonds (distance) C4'-P energy: -2.612 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.730 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: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -42.315834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.315834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.315834 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.169 local terms energy: -30.672464 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: 0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -39.119033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.119033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.119033 (E_RNA) where: Base-Base interactions energy: -11.990 where: short stacking energy: -11.990 Base-Backbone interact. energy: -0.024 local terms energy: -27.104989 where: bonds (distance) C4'-P energy: -2.002 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -66.118551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.118551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.118551 (E_RNA) where: Base-Base interactions energy: -26.467 where: short stacking energy: -26.467 Base-Backbone interact. energy: -0.000 local terms energy: -39.651861 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -9.079 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -62.121230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.121230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.121230 (E_RNA) where: Base-Base interactions energy: -25.246 where: short stacking energy: -25.246 Base-Backbone interact. energy: -0.011 local terms energy: -36.863838 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -51.354012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.354012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.354012 (E_RNA) where: Base-Base interactions energy: -22.067 where: short stacking energy: -11.896 Base-Backbone interact. energy: 0.233 local terms energy: -29.520404 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.780 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: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -62.043192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.043192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.043192 (E_RNA) where: Base-Base interactions energy: -32.186 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.004 local terms energy: -29.853131 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.325 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: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -53.506581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.506581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.506581 (E_RNA) where: Base-Base interactions energy: -23.156 where: short stacking energy: -23.156 Base-Backbone interact. energy: -0.000 local terms energy: -30.349838 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -50.353467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.353467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.353467 (E_RNA) where: Base-Base interactions energy: -18.561 where: short stacking energy: -18.561 Base-Backbone interact. energy: -0.002 local terms energy: -31.790508 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.594 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: 7, replica: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -59.189358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.189358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.189358 (E_RNA) where: Base-Base interactions energy: -30.639 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.103 local terms energy: -28.447133 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -2.310 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: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -48.277029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.277029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.277029 (E_RNA) where: Base-Base interactions energy: -20.696 where: short stacking energy: -20.696 Base-Backbone interact. energy: -0.003 local terms energy: -27.577742 where: bonds (distance) C4'-P energy: -2.306 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -44.009804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.009804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.009804 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.002 local terms energy: -27.903120 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -43.365841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.365841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.365841 (E_RNA) where: Base-Base interactions energy: -20.113 where: short stacking energy: -20.113 Base-Backbone interact. energy: -0.028 local terms energy: -23.225283 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -4.987 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -68.520318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.520318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.520318 (E_RNA) where: Base-Base interactions energy: -32.851 where: short stacking energy: -32.062 Base-Backbone interact. energy: -0.002 local terms energy: -35.667652 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -6.523 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: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -58.164210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.164210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.164210 (E_RNA) where: Base-Base interactions energy: -21.783 where: short stacking energy: -21.783 Base-Backbone interact. energy: -0.002 local terms energy: -36.379267 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -60.440504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.440504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.440504 (E_RNA) where: Base-Base interactions energy: -31.289 where: short stacking energy: -31.289 Base-Backbone interact. energy: -0.000 local terms energy: -29.151456 where: bonds (distance) C4'-P energy: -2.711 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -72.668963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.668963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.668963 (E_RNA) where: Base-Base interactions energy: -32.238 where: short stacking energy: -32.238 Base-Backbone interact. energy: -0.000 local terms energy: -40.430637 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -9.142 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: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -46.979135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.979135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.979135 (E_RNA) where: Base-Base interactions energy: -14.992 where: short stacking energy: -14.992 Base-Backbone interact. energy: 0.861 local terms energy: -32.848150 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -48.835792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.835792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.835792 (E_RNA) where: Base-Base interactions energy: -17.671 where: short stacking energy: -17.671 Base-Backbone interact. energy: -0.009 local terms energy: -31.155708 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -3.807 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: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -54.300886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.300886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.300886 (E_RNA) where: Base-Base interactions energy: -18.244 where: short stacking energy: -18.244 Base-Backbone interact. energy: -0.016 local terms energy: -36.041249 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -45.056947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.056947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.056947 (E_RNA) where: Base-Base interactions energy: -14.308 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.069 local terms energy: -30.680277 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -5.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -46.830680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.830680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.830680 (E_RNA) where: Base-Base interactions energy: -16.677 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.108 local terms energy: -30.045544 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.483 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: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -42.751360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.751360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.751360 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.090 local terms energy: -28.551806 where: bonds (distance) C4'-P energy: -2.811 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -6.615 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: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -65.817200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.817200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.817200 (E_RNA) where: Base-Base interactions energy: -31.201 where: short stacking energy: -31.201 Base-Backbone interact. energy: -0.001 local terms energy: -34.615436 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -63.291872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.291872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.291872 (E_RNA) where: Base-Base interactions energy: -29.588 where: short stacking energy: -29.588 Base-Backbone interact. energy: -0.000 local terms energy: -33.704321 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -55.719817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.719817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.719817 (E_RNA) where: Base-Base interactions energy: -27.201 where: short stacking energy: -27.201 Base-Backbone interact. energy: -0.004 local terms energy: -28.515408 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -56.454104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.454104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.454104 (E_RNA) where: Base-Base interactions energy: -24.079 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.226 local terms energy: -32.149444 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -45.647386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.647386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.647386 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.017 local terms energy: -30.586503 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -53.155666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.155666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.155666 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.005 local terms energy: -33.213754 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -45.678460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.678460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.678460 (E_RNA) where: Base-Base interactions energy: -22.203 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.011 local terms energy: -23.464223 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: 2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -47.630234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.630234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.630234 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -20.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.790886 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -3.784 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: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -51.937224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.937224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.937224 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: -0.001 local terms energy: -31.139713 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -8.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -43.207591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.207591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.207591 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.054 local terms energy: -29.823848 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -68.346708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.346708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.346708 (E_RNA) where: Base-Base interactions energy: -32.122 where: short stacking energy: -32.122 Base-Backbone interact. energy: -0.065 local terms energy: -36.159695 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -5.434 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: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -57.871932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.871932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.871932 (E_RNA) where: Base-Base interactions energy: -28.382 where: short stacking energy: -21.876 Base-Backbone interact. energy: 0.233 local terms energy: -29.722945 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -4.851 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: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -63.072950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.072950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.072950 (E_RNA) where: Base-Base interactions energy: -31.795 where: short stacking energy: -22.140 Base-Backbone interact. energy: -0.198 local terms energy: -31.080140 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.472 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: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -59.743521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.743521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.743521 (E_RNA) where: Base-Base interactions energy: -24.550 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.001 local terms energy: -35.192645 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -46.894655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.894655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.894655 (E_RNA) where: Base-Base interactions energy: -18.552 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.063 local terms energy: -28.279052 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -5.880 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: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -62.022180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.022180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.022180 (E_RNA) where: Base-Base interactions energy: -30.836 where: short stacking energy: -20.535 Base-Backbone interact. energy: -0.069 local terms energy: -31.117347 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -5.057 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: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -43.417880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.417880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.417880 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.207 local terms energy: -30.510646 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -43.860315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.860315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.860315 (E_RNA) where: Base-Base interactions energy: -13.046 where: short stacking energy: -12.496 Base-Backbone interact. energy: -0.001 local terms energy: -30.814163 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -5.197 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: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -45.311066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.311066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.311066 (E_RNA) where: Base-Base interactions energy: -18.326 where: short stacking energy: -17.518 Base-Backbone interact. energy: 0.876 local terms energy: -27.860703 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -45.650014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.650014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.650014 (E_RNA) where: Base-Base interactions energy: -16.569 where: short stacking energy: -16.569 Base-Backbone interact. energy: -0.000 local terms energy: -29.081086 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -75.466918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.466918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.466918 (E_RNA) where: Base-Base interactions energy: -35.810 where: short stacking energy: -27.997 Base-Backbone interact. energy: -0.001 local terms energy: -39.655837 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -64.849603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.849603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.849603 (E_RNA) where: Base-Base interactions energy: -29.424 where: short stacking energy: -29.424 Base-Backbone interact. energy: -0.000 local terms energy: -35.425057 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -59.423238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.423238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.423238 (E_RNA) where: Base-Base interactions energy: -29.138 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.483 local terms energy: -29.802136 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -50.830953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.830953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.830953 (E_RNA) where: Base-Base interactions energy: -19.683 where: short stacking energy: -19.394 Base-Backbone interact. energy: -0.006 local terms energy: -31.141979 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -6.151 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: 149 Temperature: 1.100000 Total energy: -59.148628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.148628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.148628 (E_RNA) where: Base-Base interactions energy: -22.409 where: short stacking energy: -22.409 Base-Backbone interact. energy: -0.000 local terms energy: -36.739187 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -7.978 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: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -51.579986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.579986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.579986 (E_RNA) where: Base-Base interactions energy: -25.281 where: short stacking energy: -20.006 Base-Backbone interact. energy: -0.000 local terms energy: -26.298543 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -50.330048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.330048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.330048 (E_RNA) where: Base-Base interactions energy: -20.227 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.008 local terms energy: -30.095108 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -44.471321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.471321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.471321 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.161 local terms energy: -30.166308 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -46.922966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.922966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.922966 (E_RNA) where: Base-Base interactions energy: -16.873 where: short stacking energy: -16.873 Base-Backbone interact. energy: -0.005 local terms energy: -30.045311 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.849 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: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -40.284551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.284551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.284551 (E_RNA) where: Base-Base interactions energy: -17.144 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.302 local terms energy: -22.838981 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -62.646025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.646025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.646025 (E_RNA) where: Base-Base interactions energy: -33.377 where: short stacking energy: -23.816 Base-Backbone interact. energy: -0.003 local terms energy: -29.265551 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.945 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: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -61.672023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.672023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.672023 (E_RNA) where: Base-Base interactions energy: -26.062 where: short stacking energy: -26.062 Base-Backbone interact. energy: -0.000 local terms energy: -35.609318 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -68.955449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.955449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.955449 (E_RNA) where: Base-Base interactions energy: -33.693 where: short stacking energy: -33.693 Base-Backbone interact. energy: -0.000 local terms energy: -35.262106 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -10.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -72.183180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.183180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.183180 (E_RNA) where: Base-Base interactions energy: -36.719 where: short stacking energy: -21.291 Base-Backbone interact. energy: -0.022 local terms energy: -35.442308 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -5.973 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: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -54.800947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.800947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.800947 (E_RNA) where: Base-Base interactions energy: -19.224 where: short stacking energy: -19.224 Base-Backbone interact. energy: -0.001 local terms energy: -35.576060 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -4.797 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: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -53.079673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.079673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.079673 (E_RNA) where: Base-Base interactions energy: -20.923 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.085 local terms energy: -32.071599 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -5.778 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: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -45.977370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.977370 (E_RNA) where: Base-Base interactions energy: -16.712 where: short stacking energy: -16.712 Base-Backbone interact. energy: -0.121 local terms energy: -29.144585 where: bonds (distance) C4'-P energy: -5.576 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -48.243415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.243415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.243415 (E_RNA) where: Base-Base interactions energy: -22.382 where: short stacking energy: -16.695 Base-Backbone interact. energy: -0.167 local terms energy: -25.693937 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -3.136 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: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -48.609423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.609423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.609423 (E_RNA) where: Base-Base interactions energy: -20.788 where: short stacking energy: -19.283 Base-Backbone interact. energy: -0.144 local terms energy: -27.678336 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -9.058 flat angles P-C4'-P energy: -3.491 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: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -40.703934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.703934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.703934 (E_RNA) where: Base-Base interactions energy: -8.155 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.001 local terms energy: -32.547816 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -5.959 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: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -73.264495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.264495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.264495 (E_RNA) where: Base-Base interactions energy: -32.688 where: short stacking energy: -32.688 Base-Backbone interact. energy: -0.001 local terms energy: -40.576391 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -9.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -71.315786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.315786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.315786 (E_RNA) where: Base-Base interactions energy: -29.311 where: short stacking energy: -29.311 Base-Backbone interact. energy: -0.000 local terms energy: -42.004470 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -8.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -58.149741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.149741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.149741 (E_RNA) where: Base-Base interactions energy: -28.229 where: short stacking energy: -28.229 Base-Backbone interact. energy: -0.002 local terms energy: -29.919410 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -57.725256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.725256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.725256 (E_RNA) where: Base-Base interactions energy: -25.892 where: short stacking energy: -25.885 Base-Backbone interact. energy: -0.001 local terms energy: -31.831550 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -59.763752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.763752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.763752 (E_RNA) where: Base-Base interactions energy: -25.776 where: short stacking energy: -25.776 Base-Backbone interact. energy: -0.005 local terms energy: -33.983017 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: 0.424 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -42.707412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.707412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.707412 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -20.498 Base-Backbone interact. energy: -0.167 local terms energy: -22.043027 where: bonds (distance) C4'-P energy: -4.243 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -52.441133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.441133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.441133 (E_RNA) where: Base-Base interactions energy: -23.582 where: short stacking energy: -23.582 Base-Backbone interact. energy: -0.000 local terms energy: -28.858992 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -8.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -46.404876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.404876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.404876 (E_RNA) where: Base-Base interactions energy: -16.769 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.059 local terms energy: -29.577135 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -6.599 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: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -47.689477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.689477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.689477 (E_RNA) where: Base-Base interactions energy: -16.420 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.252 local terms energy: -31.017127 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -6.194 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: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -37.739445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.739445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.739445 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.036 local terms energy: -29.175997 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -4.886 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: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -69.588532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.588532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.588532 (E_RNA) where: Base-Base interactions energy: -31.569 where: short stacking energy: -31.569 Base-Backbone interact. energy: -0.003 local terms energy: -38.016776 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -61.085578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.085578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.085578 (E_RNA) where: Base-Base interactions energy: -26.328 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.003 local terms energy: -34.755156 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -54.137663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.137663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.137663 (E_RNA) where: Base-Base interactions energy: -22.448 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.172 local terms energy: -31.517612 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.325 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: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -55.620536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.620536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.620536 (E_RNA) where: Base-Base interactions energy: -24.197 where: short stacking energy: -24.197 Base-Backbone interact. energy: -0.001 local terms energy: -31.423069 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -51.682731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.682731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.682731 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.001 local terms energy: -32.691759 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -51.719207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.719207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.719207 (E_RNA) where: Base-Base interactions energy: -19.623 where: short stacking energy: -19.623 Base-Backbone interact. energy: -0.002 local terms energy: -32.093953 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -6.321 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: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -45.432260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.432260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.432260 (E_RNA) where: Base-Base interactions energy: -18.528 where: short stacking energy: -18.528 Base-Backbone interact. energy: -0.005 local terms energy: -26.898952 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -5.145 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: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -50.268839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.268839 (E_RNA) where: Base-Base interactions energy: -30.880 where: short stacking energy: -23.044 Base-Backbone interact. energy: -0.085 local terms energy: -19.304551 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -4.168 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: 0.490 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: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -46.892323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.892323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.892323 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -14.345 Base-Backbone interact. energy: -0.107 local terms energy: -32.440525 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -6.445 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: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -46.010522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.010522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.010522 (E_RNA) where: Base-Base interactions energy: -16.477 where: short stacking energy: -16.477 Base-Backbone interact. energy: 0.515 local terms energy: -30.048531 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -1.960 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: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -60.217910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.217910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.217910 (E_RNA) where: Base-Base interactions energy: -25.320 where: short stacking energy: -25.320 Base-Backbone interact. energy: -0.000 local terms energy: -34.897192 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -8.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -65.721710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.721710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.721710 (E_RNA) where: Base-Base interactions energy: -26.761 where: short stacking energy: -26.761 Base-Backbone interact. energy: 0.035 local terms energy: -38.996095 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -8.961 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: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -60.520436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.520436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.520436 (E_RNA) where: Base-Base interactions energy: -24.509 where: short stacking energy: -24.509 Base-Backbone interact. energy: -0.002 local terms energy: -36.009393 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -52.763827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.763827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.763827 (E_RNA) where: Base-Base interactions energy: -22.538 where: short stacking energy: -22.538 Base-Backbone interact. energy: -0.000 local terms energy: -30.226014 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -52.842637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.842637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.842637 (E_RNA) where: Base-Base interactions energy: -26.025 where: short stacking energy: -17.507 Base-Backbone interact. energy: 0.164 local terms energy: -26.982427 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -3.519 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: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -56.684213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.684213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.684213 (E_RNA) where: Base-Base interactions energy: -29.231 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.319 local terms energy: -27.133948 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -58.543913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.543913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.543913 (E_RNA) where: Base-Base interactions energy: -23.622 where: short stacking energy: -23.622 Base-Backbone interact. energy: -0.014 local terms energy: -34.908247 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -41.430072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.430072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.430072 (E_RNA) where: Base-Base interactions energy: -12.389 where: short stacking energy: -12.389 Base-Backbone interact. energy: -0.000 local terms energy: -29.041399 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -3.207 flat angles P-C4'-P energy: -5.661 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: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -49.046933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046933 (E_RNA) where: Base-Base interactions energy: -14.816 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.143 local terms energy: -34.088657 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -6.485 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: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -44.885350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.885350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.885350 (E_RNA) where: Base-Base interactions energy: -16.472 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.002 local terms energy: -28.411252 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -3.995 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: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -64.145534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.145534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.145534 (E_RNA) where: Base-Base interactions energy: -29.028 where: short stacking energy: -29.028 Base-Backbone interact. energy: -0.003 local terms energy: -35.114605 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -58.943617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.943617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.943617 (E_RNA) where: Base-Base interactions energy: -26.503 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.245 local terms energy: -32.195779 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -62.594975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.594975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.594975 (E_RNA) where: Base-Base interactions energy: -29.548 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.045 local terms energy: -33.001199 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -51.974301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.974301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.974301 (E_RNA) where: Base-Base interactions energy: -20.721 where: short stacking energy: -20.721 Base-Backbone interact. energy: -0.004 local terms energy: -31.249402 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -6.469 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: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -50.387273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.387273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.387273 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -21.857 Base-Backbone interact. energy: -0.000 local terms energy: -28.530688 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -6.698 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -52.407791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.407791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.407791 (E_RNA) where: Base-Base interactions energy: -23.686 where: short stacking energy: -23.686 Base-Backbone interact. energy: -0.029 local terms energy: -28.692461 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -1.500 flat angles P-C4'-P energy: -4.013 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: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -45.778829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.778829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.778829 (E_RNA) where: Base-Base interactions energy: -16.432 where: short stacking energy: -16.432 Base-Backbone interact. energy: -0.012 local terms energy: -29.335475 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -5.826 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: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -46.837047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.837047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.837047 (E_RNA) where: Base-Base interactions energy: -20.157 where: short stacking energy: -20.157 Base-Backbone interact. energy: -0.000 local terms energy: -26.679466 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -7.158 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -53.355811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.355811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.355811 (E_RNA) where: Base-Base interactions energy: -21.574 where: short stacking energy: -21.574 Base-Backbone interact. energy: -0.058 local terms energy: -31.723270 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -7.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -37.795773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.795773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.795773 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.058 local terms energy: -28.340747 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -57.535772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.535772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.535772 (E_RNA) where: Base-Base interactions energy: -24.186 where: short stacking energy: -20.136 Base-Backbone interact. energy: -0.000 local terms energy: -33.349990 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -5.821 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: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -65.391742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.391742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.391742 (E_RNA) where: Base-Base interactions energy: -31.788 where: short stacking energy: -18.431 Base-Backbone interact. energy: -0.074 local terms energy: -33.530112 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -3.628 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -54.264085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.264085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.264085 (E_RNA) where: Base-Base interactions energy: -23.586 where: short stacking energy: -23.313 Base-Backbone interact. energy: -0.000 local terms energy: -30.677708 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.684 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: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -67.671639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.671639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.671639 (E_RNA) where: Base-Base interactions energy: -27.646 where: short stacking energy: -27.646 Base-Backbone interact. energy: -0.000 local terms energy: -40.025805 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -8.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -48.912890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.912890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.912890 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -14.666 Base-Backbone interact. energy: -0.059 local terms energy: -34.138955 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -47.129149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.129149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.129149 (E_RNA) where: Base-Base interactions energy: -16.375 where: short stacking energy: -16.375 Base-Backbone interact. energy: -0.001 local terms energy: -30.753303 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -3.671 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: 3 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -47.560157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.560157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.560157 (E_RNA) where: Base-Base interactions energy: -15.713 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.000 local terms energy: -31.846847 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -2.454 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: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -46.093192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.093192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.093192 (E_RNA) where: Base-Base interactions energy: -18.269 where: short stacking energy: -18.269 Base-Backbone interact. energy: -0.042 local terms energy: -27.782028 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -43.278488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.278488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.278488 (E_RNA) where: Base-Base interactions energy: -14.545 where: short stacking energy: -14.545 Base-Backbone interact. energy: -0.190 local terms energy: -28.543764 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -5.413 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: 10, replica: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -39.710705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.710705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.710705 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.034 local terms energy: -29.702752 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.023 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: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -65.815210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.815210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.815210 (E_RNA) where: Base-Base interactions energy: -27.289 where: short stacking energy: -27.289 Base-Backbone interact. energy: -0.000 local terms energy: -38.525858 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.250 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: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -60.889110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.889110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.889110 (E_RNA) where: Base-Base interactions energy: -24.137 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.000 local terms energy: -36.751699 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -8.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -56.480414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.480414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.480414 (E_RNA) where: Base-Base interactions energy: -29.735 where: short stacking energy: -16.460 Base-Backbone interact. energy: -0.218 local terms energy: -26.528243 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -3.173 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: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -59.472468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.472468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.472468 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -23.581 Base-Backbone interact. energy: -0.393 local terms energy: -29.398781 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -58.587815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.587815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.587815 (E_RNA) where: Base-Base interactions energy: -31.137 where: short stacking energy: -31.137 Base-Backbone interact. energy: -0.000 local terms energy: -27.450409 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -1.381 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -42.266712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.266712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.266712 (E_RNA) where: Base-Base interactions energy: -18.097 where: short stacking energy: -18.264 Base-Backbone interact. energy: -0.429 local terms energy: -23.740195 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: 0.454 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: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -61.903314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.903314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.903314 (E_RNA) where: Base-Base interactions energy: -25.238 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.033 local terms energy: -36.632431 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -8.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -44.340654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.340654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.340654 (E_RNA) where: Base-Base interactions energy: -19.508 where: short stacking energy: -19.508 Base-Backbone interact. energy: -0.001 local terms energy: -24.831631 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.419 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -2.230 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: 156 Temperature: 1.300000 Total energy: -47.250501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.250501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.250501 (E_RNA) where: Base-Base interactions energy: -17.131 where: short stacking energy: -17.131 Base-Backbone interact. energy: -0.051 local terms energy: -30.068727 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -41.604133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.604133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.604133 (E_RNA) where: Base-Base interactions energy: -21.979 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.142 local terms energy: -19.482916 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: 1.068 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -67.048538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.048538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.048538 (E_RNA) where: Base-Base interactions energy: -28.220 where: short stacking energy: -28.220 Base-Backbone interact. energy: -0.000 local terms energy: -38.828389 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -57.380015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.380015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.380015 (E_RNA) where: Base-Base interactions energy: -25.230 where: short stacking energy: -23.559 Base-Backbone interact. energy: -0.000 local terms energy: -32.149454 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -59.065334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.065334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.065334 (E_RNA) where: Base-Base interactions energy: -28.311 where: short stacking energy: -28.311 Base-Backbone interact. energy: -0.000 local terms energy: -30.753949 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -3.194 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -5.598 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: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -59.797363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.797363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.797363 (E_RNA) where: Base-Base interactions energy: -24.365 where: short stacking energy: -24.365 Base-Backbone interact. energy: 0.666 local terms energy: -36.098240 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -56.973799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.973799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.973799 (E_RNA) where: Base-Base interactions energy: -23.895 where: short stacking energy: -23.895 Base-Backbone interact. energy: -0.000 local terms energy: -33.078812 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -56.320371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.320371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.320371 (E_RNA) where: Base-Base interactions energy: -24.659 where: short stacking energy: -17.326 Base-Backbone interact. energy: -0.000 local terms energy: -31.661193 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -2.922 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: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -55.041388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.041388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.041388 (E_RNA) where: Base-Base interactions energy: -22.319 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.005 local terms energy: -32.717534 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -43.732691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.732691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.732691 (E_RNA) where: Base-Base interactions energy: -15.978 where: short stacking energy: -15.978 Base-Backbone interact. energy: -0.002 local terms energy: -27.752543 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -56.479167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.479167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.479167 (E_RNA) where: Base-Base interactions energy: -24.496 where: short stacking energy: -24.496 Base-Backbone interact. energy: -0.000 local terms energy: -31.982802 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -6.939 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: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -41.940724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.940724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.940724 (E_RNA) where: Base-Base interactions energy: -17.203 where: short stacking energy: -17.203 Base-Backbone interact. energy: -0.000 local terms energy: -24.737268 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.969 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: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -60.385932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.385932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.385932 (E_RNA) where: Base-Base interactions energy: -27.248 where: short stacking energy: -27.248 Base-Backbone interact. energy: -0.000 local terms energy: -33.137576 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -6.790 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: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -61.178877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.178877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.178877 (E_RNA) where: Base-Base interactions energy: -27.206 where: short stacking energy: -27.206 Base-Backbone interact. energy: -0.005 local terms energy: -33.968330 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -61.397665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.397665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.397665 (E_RNA) where: Base-Base interactions energy: -28.493 where: short stacking energy: -28.493 Base-Backbone interact. energy: -0.000 local terms energy: -32.904452 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -57.042513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.042513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.042513 (E_RNA) where: Base-Base interactions energy: -23.985 where: short stacking energy: -23.985 Base-Backbone interact. energy: -0.089 local terms energy: -32.968857 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -53.008878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.008878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.008878 (E_RNA) where: Base-Base interactions energy: -23.013 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.005 local terms energy: -29.991319 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.960 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: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -41.421941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.421941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.421941 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.093 local terms energy: -25.434717 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -48.652842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.652842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.652842 (E_RNA) where: Base-Base interactions energy: -19.175 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.012 local terms energy: -29.465802 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -4.934 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -44.874628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.874628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.874628 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -14.452 Base-Backbone interact. energy: -0.001 local terms energy: -29.177215 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -51.366949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.366949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.366949 (E_RNA) where: Base-Base interactions energy: -24.426 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.153 local terms energy: -26.788345 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -5.295 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: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -40.199477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.199477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.199477 (E_RNA) where: Base-Base interactions energy: -13.531 where: short stacking energy: -13.303 Base-Backbone interact. energy: -0.118 local terms energy: -26.550167 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.171 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: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -74.819522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.819522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.819522 (E_RNA) where: Base-Base interactions energy: -41.917 where: short stacking energy: -28.654 Base-Backbone interact. energy: -0.007 local terms energy: -32.895389 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -59.747101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.747101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.747101 (E_RNA) where: Base-Base interactions energy: -24.720 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.001 local terms energy: -35.026314 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -56.165811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.165811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.165811 (E_RNA) where: Base-Base interactions energy: -23.530 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.072 local terms energy: -32.564114 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -5.628 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: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -58.585774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.585774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.585774 (E_RNA) where: Base-Base interactions energy: -26.791 where: short stacking energy: -26.791 Base-Backbone interact. energy: -0.000 local terms energy: -31.794443 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -3.913 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: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -47.184562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.184562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.184562 (E_RNA) where: Base-Base interactions energy: -17.062 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.102 local terms energy: -30.020230 where: bonds (distance) C4'-P energy: -7.120 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -55.095989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.095989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.095989 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -24.064 Base-Backbone interact. energy: -0.602 local terms energy: -30.430521 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -5.191 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: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -43.247390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.247390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.247390 (E_RNA) where: Base-Base interactions energy: -17.794 where: short stacking energy: -17.794 Base-Backbone interact. energy: -0.008 local terms energy: -25.444983 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -5.026 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: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -46.879010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.879010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.879010 (E_RNA) where: Base-Base interactions energy: -16.398 where: short stacking energy: -14.701 Base-Backbone interact. energy: -1.036 local terms energy: -29.445138 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -49.165429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.165429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.165429 (E_RNA) where: Base-Base interactions energy: -20.426 where: short stacking energy: -20.426 Base-Backbone interact. energy: -0.035 local terms energy: -28.704472 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -5.200 flat angles C4'-P-C4' energy: -9.602 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -52.608311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.608311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.608311 (E_RNA) where: Base-Base interactions energy: -25.914 where: short stacking energy: -18.282 Base-Backbone interact. energy: -0.005 local terms energy: -26.689052 where: bonds (distance) C4'-P energy: -7.335 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -75.666637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.666637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.666637 (E_RNA) where: Base-Base interactions energy: -44.692 where: short stacking energy: -26.640 Base-Backbone interact. energy: -0.000 local terms energy: -30.974065 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -8.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -57.027624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.027624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.027624 (E_RNA) where: Base-Base interactions energy: -26.888 where: short stacking energy: -20.086 Base-Backbone interact. energy: -0.004 local terms energy: -30.135413 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -6.389 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: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -66.451761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.451761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.451761 (E_RNA) where: Base-Base interactions energy: -28.828 where: short stacking energy: -28.613 Base-Backbone interact. energy: -0.005 local terms energy: -37.619001 where: bonds (distance) C4'-P energy: -6.169 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -47.746366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.746366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.746366 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -16.095 Base-Backbone interact. energy: -0.003 local terms energy: -31.648470 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.114 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: 5, replica: 9 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -58.133318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.133318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.133318 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -24.288 Base-Backbone interact. energy: -0.001 local terms energy: -28.238862 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -3.952 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -47.627958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.627958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.627958 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.000 local terms energy: -33.130705 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -6.840 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: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -52.023780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.023780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.023780 (E_RNA) where: Base-Base interactions energy: -17.154 where: short stacking energy: -17.154 Base-Backbone interact. energy: -0.177 local terms energy: -34.692492 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -39.305460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.305460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.305460 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -17.638 Base-Backbone interact. energy: -0.072 local terms energy: -21.595670 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -42.368130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.368130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.368130 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: 0.014 local terms energy: -30.299107 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.948 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: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -45.803008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.803008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.803008 (E_RNA) where: Base-Base interactions energy: -13.921 where: short stacking energy: -12.711 Base-Backbone interact. energy: -0.001 local terms energy: -31.880446 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -5.492 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: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -63.008822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.008822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.008822 (E_RNA) where: Base-Base interactions energy: -26.028 where: short stacking energy: -19.743 Base-Backbone interact. energy: -0.058 local terms energy: -36.922112 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -60.330022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.330022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.330022 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -24.192 Base-Backbone interact. energy: -0.006 local terms energy: -36.132080 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -62.325432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.325432 (E_RNA) where: Base-Base interactions energy: -25.763 where: short stacking energy: -25.332 Base-Backbone interact. energy: -0.039 local terms energy: -36.523155 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -6.622 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: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -48.800171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.800171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.800171 (E_RNA) where: Base-Base interactions energy: -19.682 where: short stacking energy: -14.423 Base-Backbone interact. energy: 0.194 local terms energy: -29.311846 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -59.666007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.666007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.666007 (E_RNA) where: Base-Base interactions energy: -27.561 where: short stacking energy: -26.553 Base-Backbone interact. energy: -0.001 local terms energy: -32.104784 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -52.164126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.164126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.164126 (E_RNA) where: Base-Base interactions energy: -22.732 where: short stacking energy: -22.732 Base-Backbone interact. energy: -0.000 local terms energy: -29.432170 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -51.075336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.075336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.075336 (E_RNA) where: Base-Base interactions energy: -21.414 where: short stacking energy: -21.414 Base-Backbone interact. energy: -0.004 local terms energy: -29.656408 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.371 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -46.791910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.791910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.791910 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -16.218 Base-Backbone interact. energy: -0.048 local terms energy: -25.393122 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -0.164 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -43.131307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.131307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.131307 (E_RNA) where: Base-Base interactions energy: -17.851 where: short stacking energy: -17.851 Base-Backbone interact. energy: -0.001 local terms energy: -25.279749 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -1.703 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: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -45.210760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.210760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.210760 (E_RNA) where: Base-Base interactions energy: -16.581 where: short stacking energy: -16.581 Base-Backbone interact. energy: -0.105 local terms energy: -28.525105 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -4.906 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: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -58.932123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.932123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.932123 (E_RNA) where: Base-Base interactions energy: -22.489 where: short stacking energy: -22.489 Base-Backbone interact. energy: -0.001 local terms energy: -36.442647 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -6.027 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: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -59.647108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.647108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.647108 (E_RNA) where: Base-Base interactions energy: -23.454 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.046 local terms energy: -36.147691 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -6.368 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: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -62.789731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.789731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.789731 (E_RNA) where: Base-Base interactions energy: -23.189 where: short stacking energy: -23.189 Base-Backbone interact. energy: -0.001 local terms energy: -39.599568 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -58.501697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.501697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.501697 (E_RNA) where: Base-Base interactions energy: -27.952 where: short stacking energy: -26.211 Base-Backbone interact. energy: -0.004 local terms energy: -30.546167 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -1.408 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: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -43.918107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.918107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.918107 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.001 local terms energy: -29.602139 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: 1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -52.369209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.369209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.369209 (E_RNA) where: Base-Base interactions energy: -23.029 where: short stacking energy: -23.029 Base-Backbone interact. energy: -0.071 local terms energy: -29.269882 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.640 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: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -50.381202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.381202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.381202 (E_RNA) where: Base-Base interactions energy: -17.077 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.007 local terms energy: -33.296712 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -6.774 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: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -43.185550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.185550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.185550 (E_RNA) where: Base-Base interactions energy: -16.247 where: short stacking energy: -16.247 Base-Backbone interact. energy: -0.000 local terms energy: -26.938629 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.824 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: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -42.723345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.723345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.723345 (E_RNA) where: Base-Base interactions energy: -16.393 where: short stacking energy: -15.422 Base-Backbone interact. energy: -0.111 local terms energy: -26.219257 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -0.693 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -41.612982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.612982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.612982 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: 0.522 local terms energy: -28.397019 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.657 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: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -57.939963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.939963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.939963 (E_RNA) where: Base-Base interactions energy: -23.820 where: short stacking energy: -23.820 Base-Backbone interact. energy: -0.005 local terms energy: -34.115418 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -6.011 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: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -62.185294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.185294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.185294 (E_RNA) where: Base-Base interactions energy: -25.492 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.003 local terms energy: -36.690403 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -59.148973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.148973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.148973 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -23.092 Base-Backbone interact. energy: -0.026 local terms energy: -36.031385 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -60.102752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.102752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.102752 (E_RNA) where: Base-Base interactions energy: -23.949 where: short stacking energy: -23.949 Base-Backbone interact. energy: -0.686 local terms energy: -35.467447 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -8.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -50.325981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.325981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.325981 (E_RNA) where: Base-Base interactions energy: -19.239 where: short stacking energy: -19.239 Base-Backbone interact. energy: -0.007 local terms energy: -31.080364 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.442 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: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -49.587800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.587800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.587800 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.003 local terms energy: -30.914212 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -2.456 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: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -54.461630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.461630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.461630 (E_RNA) where: Base-Base interactions energy: -24.597 where: short stacking energy: -24.597 Base-Backbone interact. energy: -0.096 local terms energy: -29.768463 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -6.291 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: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -44.936984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.936984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.936984 (E_RNA) where: Base-Base interactions energy: -16.328 where: short stacking energy: -13.445 Base-Backbone interact. energy: 0.442 local terms energy: -29.051478 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -2.207 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: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -44.262889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.262889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.262889 (E_RNA) where: Base-Base interactions energy: -16.381 where: short stacking energy: -15.574 Base-Backbone interact. energy: -0.553 local terms energy: -27.328657 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -39.807165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.807165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.807165 (E_RNA) where: Base-Base interactions energy: -15.154 where: short stacking energy: -14.811 Base-Backbone interact. energy: -0.004 local terms energy: -24.648582 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -62.432903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.432903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.432903 (E_RNA) where: Base-Base interactions energy: -27.015 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.001 local terms energy: -35.417291 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -55.138965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.138965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.138965 (E_RNA) where: Base-Base interactions energy: -22.626 where: short stacking energy: -22.626 Base-Backbone interact. energy: -1.218 local terms energy: -31.294773 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -3.766 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: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -67.332482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.332482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.332482 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -29.567 Base-Backbone interact. energy: -0.000 local terms energy: -37.765427 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -9.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -63.772789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.772789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.772789 (E_RNA) where: Base-Base interactions energy: -30.259 where: short stacking energy: -26.090 Base-Backbone interact. energy: -0.000 local terms energy: -33.513030 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -46.054083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.054083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.054083 (E_RNA) where: Base-Base interactions energy: -18.187 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.005 local terms energy: -27.862711 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -2.470 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: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -47.404756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.404756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.404756 (E_RNA) where: Base-Base interactions energy: -20.827 where: short stacking energy: -15.034 Base-Backbone interact. energy: 0.034 local terms energy: -26.611290 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -2.793 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: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -55.686574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.686574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.686574 (E_RNA) where: Base-Base interactions energy: -21.370 where: short stacking energy: -21.370 Base-Backbone interact. energy: -0.422 local terms energy: -33.894415 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.447 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: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -42.734864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.734864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.734864 (E_RNA) where: Base-Base interactions energy: -14.572 where: short stacking energy: -10.140 Base-Backbone interact. energy: -0.062 local terms energy: -28.100940 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -42.975522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.975522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.975522 (E_RNA) where: Base-Base interactions energy: -14.813 where: short stacking energy: -14.813 Base-Backbone interact. energy: 0.258 local terms energy: -28.420409 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -2.338 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: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -39.497707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.497707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.497707 (E_RNA) where: Base-Base interactions energy: -11.090 where: short stacking energy: -10.915 Base-Backbone interact. energy: -0.091 local terms energy: -28.316821 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -58.631586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.631586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.631586 (E_RNA) where: Base-Base interactions energy: -23.158 where: short stacking energy: -23.158 Base-Backbone interact. energy: -0.001 local terms energy: -35.472876 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -66.493715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.493715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.493715 (E_RNA) where: Base-Base interactions energy: -31.525 where: short stacking energy: -26.931 Base-Backbone interact. energy: -0.050 local terms energy: -34.919179 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -61.389014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.389014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.389014 (E_RNA) where: Base-Base interactions energy: -25.145 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.003 local terms energy: -36.241035 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -56.199183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.199183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.199183 (E_RNA) where: Base-Base interactions energy: -24.480 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.040 local terms energy: -31.679910 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -3.609 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: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -62.465138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.465138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.465138 (E_RNA) where: Base-Base interactions energy: -25.532 where: short stacking energy: -13.184 Base-Backbone interact. energy: -1.315 local terms energy: -35.618335 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -6.801 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: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -51.174077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.174077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.174077 (E_RNA) where: Base-Base interactions energy: -21.672 where: short stacking energy: -21.531 Base-Backbone interact. energy: -0.060 local terms energy: -29.442038 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -6.128 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: 7, replica: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -53.266822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.266822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.266822 (E_RNA) where: Base-Base interactions energy: -21.981 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.000 local terms energy: -31.285376 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -6.337 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: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -47.885717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.885717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.885717 (E_RNA) where: Base-Base interactions energy: -14.219 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.010 local terms energy: -33.656292 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -6.693 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: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -54.969384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.969384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.969384 (E_RNA) where: Base-Base interactions energy: -18.582 where: short stacking energy: -18.582 Base-Backbone interact. energy: -0.001 local terms energy: -36.385498 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -6.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -40.136787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.136787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.136787 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.008 local terms energy: -27.926485 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -6.005 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: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -64.510861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.510861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.510861 (E_RNA) where: Base-Base interactions energy: -26.372 where: short stacking energy: -26.372 Base-Backbone interact. energy: -0.000 local terms energy: -38.138818 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -69.485114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.485114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.485114 (E_RNA) where: Base-Base interactions energy: -34.076 where: short stacking energy: -20.983 Base-Backbone interact. energy: -0.003 local terms energy: -35.405948 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -60.513009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.513009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.513009 (E_RNA) where: Base-Base interactions energy: -27.234 where: short stacking energy: -27.234 Base-Backbone interact. energy: -0.013 local terms energy: -33.266015 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -2.821 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: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -49.283497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283497 (E_RNA) where: Base-Base interactions energy: -15.640 where: short stacking energy: -15.640 Base-Backbone interact. energy: -0.000 local terms energy: -33.643379 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -52.151638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.151638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.151638 (E_RNA) where: Base-Base interactions energy: -29.334 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.136 local terms energy: -22.681585 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -50.407979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.407979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.407979 (E_RNA) where: Base-Base interactions energy: -16.121 where: short stacking energy: -15.238 Base-Backbone interact. energy: -0.007 local terms energy: -34.280384 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -38.581882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.581882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.581882 (E_RNA) where: Base-Base interactions energy: -10.647 where: short stacking energy: -10.647 Base-Backbone interact. energy: -0.101 local terms energy: -27.834224 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -48.794558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.794558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.794558 (E_RNA) where: Base-Base interactions energy: -19.992 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.000 local terms energy: -28.802026 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -39.429277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.429277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.429277 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.003 local terms energy: -24.927092 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -43.836609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.836609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.836609 (E_RNA) where: Base-Base interactions energy: -16.557 where: short stacking energy: -16.557 Base-Backbone interact. energy: -0.000 local terms energy: -27.279961 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -0.153 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: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -65.731750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.731750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.731750 (E_RNA) where: Base-Base interactions energy: -30.308 where: short stacking energy: -30.308 Base-Backbone interact. energy: -0.006 local terms energy: -35.417649 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -7.033 tors. eta vs tors. theta energy: -8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -65.353805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.353805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.353805 (E_RNA) where: Base-Base interactions energy: -27.707 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.001 local terms energy: -37.646131 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -56.906883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.906883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.906883 (E_RNA) where: Base-Base interactions energy: -25.021 where: short stacking energy: -25.021 Base-Backbone interact. energy: 0.205 local terms energy: -32.090907 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -0.875 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -45.259841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.259841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.259841 (E_RNA) where: Base-Base interactions energy: -16.542 where: short stacking energy: -16.542 Base-Backbone interact. energy: -0.029 local terms energy: -28.688901 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -61.390439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.390439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.390439 (E_RNA) where: Base-Base interactions energy: -28.418 where: short stacking energy: -21.195 Base-Backbone interact. energy: -0.139 local terms energy: -32.833934 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.839 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: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -48.057146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.057146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.057146 (E_RNA) where: Base-Base interactions energy: -16.734 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.015 local terms energy: -31.308143 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -5.985 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: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -47.636943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.636943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.636943 (E_RNA) where: Base-Base interactions energy: -20.618 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.007 local terms energy: -27.012163 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.380 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -5.690 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: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -41.742680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.742680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.742680 (E_RNA) where: Base-Base interactions energy: -21.875 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.012 local terms energy: -19.855157 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -44.837536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.837536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.837536 (E_RNA) where: Base-Base interactions energy: -14.976 where: short stacking energy: -14.976 Base-Backbone interact. energy: -0.006 local terms energy: -29.855054 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -2.285 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: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -43.383122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.383122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.383122 (E_RNA) where: Base-Base interactions energy: -19.903 where: short stacking energy: -19.673 Base-Backbone interact. energy: -0.007 local terms energy: -23.473103 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -0.575 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: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -62.878199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.878199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.878199 (E_RNA) where: Base-Base interactions energy: -26.600 where: short stacking energy: -25.328 Base-Backbone interact. energy: -0.106 local terms energy: -36.171876 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.966 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: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -53.155869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.155869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.155869 (E_RNA) where: Base-Base interactions energy: -18.345 where: short stacking energy: -18.345 Base-Backbone interact. energy: -0.024 local terms energy: -34.786769 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -6.177 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: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -65.186619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.186619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.186619 (E_RNA) where: Base-Base interactions energy: -28.313 where: short stacking energy: -28.313 Base-Backbone interact. energy: -0.000 local terms energy: -36.873986 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -9.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -56.753295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.753295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.753295 (E_RNA) where: Base-Base interactions energy: -26.008 where: short stacking energy: -26.008 Base-Backbone interact. energy: -0.369 local terms energy: -30.375985 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -48.324601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.324601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.324601 (E_RNA) where: Base-Base interactions energy: -23.760 where: short stacking energy: -23.760 Base-Backbone interact. energy: -0.008 local terms energy: -24.556945 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: 0.027 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: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -53.825643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.825643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.825643 (E_RNA) where: Base-Base interactions energy: -22.902 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.448 local terms energy: -30.475465 where: bonds (distance) C4'-P energy: -7.775 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -46.614645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.614645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.614645 (E_RNA) where: Base-Base interactions energy: -15.667 where: short stacking energy: -15.667 Base-Backbone interact. energy: -0.034 local terms energy: -30.913248 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -5.887 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: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -41.988205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.988205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.988205 (E_RNA) where: Base-Base interactions energy: -17.867 where: short stacking energy: -17.867 Base-Backbone interact. energy: -0.004 local terms energy: -24.117073 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.034 flat angles C4'-P-C4' energy: -1.561 flat angles P-C4'-P energy: -5.231 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: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -47.649409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.649409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.649409 (E_RNA) where: Base-Base interactions energy: -23.275 where: short stacking energy: -23.275 Base-Backbone interact. energy: 0.035 local terms energy: -24.410075 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -5.921 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -6.228 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: 10, replica: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -44.597290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.597290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.597290 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.006 local terms energy: -29.479493 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -64.518644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.518644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.518644 (E_RNA) where: Base-Base interactions energy: -29.296 where: short stacking energy: -29.296 Base-Backbone interact. energy: -0.000 local terms energy: -35.222461 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -4.752 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: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -67.034843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.034843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.034843 (E_RNA) where: Base-Base interactions energy: -31.480 where: short stacking energy: -31.480 Base-Backbone interact. energy: -0.000 local terms energy: -35.554379 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -8.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -60.446878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.446878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.446878 (E_RNA) where: Base-Base interactions energy: -25.073 where: short stacking energy: -25.073 Base-Backbone interact. energy: -0.001 local terms energy: -35.372769 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -61.199434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.199434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.199434 (E_RNA) where: Base-Base interactions energy: -30.243 where: short stacking energy: -30.243 Base-Backbone interact. energy: -0.018 local terms energy: -30.938314 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -63.554612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.554612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.554612 (E_RNA) where: Base-Base interactions energy: -30.110 where: short stacking energy: -29.539 Base-Backbone interact. energy: -0.000 local terms energy: -33.444153 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -4.186 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: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -48.711729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.711729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.711729 (E_RNA) where: Base-Base interactions energy: -21.637 where: short stacking energy: -21.637 Base-Backbone interact. energy: -0.005 local terms energy: -27.069857 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -1.380 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: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -54.309820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.309820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.309820 (E_RNA) where: Base-Base interactions energy: -19.605 where: short stacking energy: -16.026 Base-Backbone interact. energy: -0.303 local terms energy: -34.402437 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -42.035731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.035731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.035731 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -11.921 Base-Backbone interact. energy: 0.608 local terms energy: -29.315639 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.220 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -5.287 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: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -40.203720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.203720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.203720 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.030 local terms energy: -26.350480 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -4.358 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -48.505693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.505693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.505693 (E_RNA) where: Base-Base interactions energy: -21.776 where: short stacking energy: -21.776 Base-Backbone interact. energy: -0.033 local terms energy: -26.696778 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -5.204 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.781 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: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -69.205521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.205521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.205521 (E_RNA) where: Base-Base interactions energy: -27.851 where: short stacking energy: -27.851 Base-Backbone interact. energy: -0.000 local terms energy: -41.354553 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -62.723524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.723524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.723524 (E_RNA) where: Base-Base interactions energy: -30.152 where: short stacking energy: -23.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.571003 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -57.553924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.553924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.553924 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.000 local terms energy: -36.108225 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -62.983975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.983975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.983975 (E_RNA) where: Base-Base interactions energy: -28.427 where: short stacking energy: -24.851 Base-Backbone interact. energy: -1.304 local terms energy: -33.253686 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -53.290377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.290377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.290377 (E_RNA) where: Base-Base interactions energy: -21.251 where: short stacking energy: -21.251 Base-Backbone interact. energy: -0.010 local terms energy: -32.028757 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -4.939 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: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -52.069336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.069336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.069336 (E_RNA) where: Base-Base interactions energy: -18.464 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.015 local terms energy: -33.590574 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -6.949 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -45.464259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.464259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.464259 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -14.696 Base-Backbone interact. energy: -0.036 local terms energy: -30.732039 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.113 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: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -44.757194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.757194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.757194 (E_RNA) where: Base-Base interactions energy: -18.438 where: short stacking energy: -18.438 Base-Backbone interact. energy: -0.053 local terms energy: -26.266554 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.544 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: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -42.894023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.894023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.894023 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.115 local terms energy: -28.556564 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -7.139 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: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -42.856753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.856753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.856753 (E_RNA) where: Base-Base interactions energy: -16.325 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.004 local terms energy: -26.527916 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -5.213 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: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -61.690347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.690347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.690347 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -27.617 Base-Backbone interact. energy: -0.000 local terms energy: -34.073637 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -6.766 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: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -64.899387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.899387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.899387 (E_RNA) where: Base-Base interactions energy: -27.177 where: short stacking energy: -27.177 Base-Backbone interact. energy: -0.002 local terms energy: -37.720521 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -52.884981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.884981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.884981 (E_RNA) where: Base-Base interactions energy: -21.409 where: short stacking energy: -20.604 Base-Backbone interact. energy: -0.205 local terms energy: -31.271581 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -6.569 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: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -47.994772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.994772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.994772 (E_RNA) where: Base-Base interactions energy: -17.563 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.004 local terms energy: -30.427739 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -55.738980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.738980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.738980 (E_RNA) where: Base-Base interactions energy: -29.420 where: short stacking energy: -20.005 Base-Backbone interact. energy: -0.020 local terms energy: -26.299403 where: bonds (distance) C4'-P energy: -2.318 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -3.272 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: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -45.817413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.817413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.817413 (E_RNA) where: Base-Base interactions energy: -17.439 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.113 local terms energy: -28.264743 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -44.955329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.955329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.955329 (E_RNA) where: Base-Base interactions energy: -16.230 where: short stacking energy: -16.230 Base-Backbone interact. energy: -0.003 local terms energy: -28.722025 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.987 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: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -49.393935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.393935 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.001 local terms energy: -27.615195 where: bonds (distance) C4'-P energy: -4.437 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -2.279 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: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -52.757079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.757079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.757079 (E_RNA) where: Base-Base interactions energy: -23.043 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.000 local terms energy: -29.713490 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -1.260 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -47.116928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.116928 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.756 local terms energy: -29.896016 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -59.660524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.660524 (E_RNA) where: Base-Base interactions energy: -24.771 where: short stacking energy: -24.771 Base-Backbone interact. energy: -0.001 local terms energy: -34.888957 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -67.755202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.755202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.755202 (E_RNA) where: Base-Base interactions energy: -32.092 where: short stacking energy: -31.601 Base-Backbone interact. energy: -0.000 local terms energy: -35.662721 where: bonds (distance) C4'-P energy: -5.985 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -6.017 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: 172 Temperature: 1.000000 Total energy: -53.296578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.296578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.296578 (E_RNA) where: Base-Base interactions energy: -19.168 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.022 local terms energy: -34.106654 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -3.765 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: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -48.769961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.769961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.769961 (E_RNA) where: Base-Base interactions energy: -23.438 where: short stacking energy: -11.957 Base-Backbone interact. energy: 1.312 local terms energy: -26.643858 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -51.566678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.566678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.566678 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -15.697 Base-Backbone interact. energy: -0.003 local terms energy: -35.866851 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -7.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -42.740446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740446 (E_RNA) where: Base-Base interactions energy: -8.973 where: short stacking energy: -8.973 Base-Backbone interact. energy: -0.003 local terms energy: -33.764301 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -47.837384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.837384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.837384 (E_RNA) where: Base-Base interactions energy: -19.788 where: short stacking energy: -19.788 Base-Backbone interact. energy: -0.001 local terms energy: -28.048877 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -5.567 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -40.514396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.514396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.514396 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -9.157 Base-Backbone interact. energy: 0.744 local terms energy: -27.878974 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -43.518193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.518193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.518193 (E_RNA) where: Base-Base interactions energy: -16.877 where: short stacking energy: -16.877 Base-Backbone interact. energy: -0.091 local terms energy: -26.549641 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -54.722566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.722566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.722566 (E_RNA) where: Base-Base interactions energy: -23.223 where: short stacking energy: -21.030 Base-Backbone interact. energy: -0.101 local terms energy: -31.399061 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -69.615631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.615631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.615631 (E_RNA) where: Base-Base interactions energy: -29.143 where: short stacking energy: -29.143 Base-Backbone interact. energy: -0.000 local terms energy: -40.472755 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -62.752273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.752273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.752273 (E_RNA) where: Base-Base interactions energy: -27.484 where: short stacking energy: -27.484 Base-Backbone interact. energy: -0.000 local terms energy: -35.268548 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -59.604810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.604810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.604810 (E_RNA) where: Base-Base interactions energy: -27.738 where: short stacking energy: -23.403 Base-Backbone interact. energy: -0.039 local terms energy: -31.827776 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -65.105216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.105216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.105216 (E_RNA) where: Base-Base interactions energy: -28.396 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.000 local terms energy: -36.708822 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.893 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: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -51.121688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.121688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.121688 (E_RNA) where: Base-Base interactions energy: -21.271 where: short stacking energy: -17.509 Base-Backbone interact. energy: -0.380 local terms energy: -29.471275 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -51.881291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.881291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.881291 (E_RNA) where: Base-Base interactions energy: -22.061 where: short stacking energy: -22.061 Base-Backbone interact. energy: -0.004 local terms energy: -29.815789 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -2.923 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: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -50.594560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.594560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.594560 (E_RNA) where: Base-Base interactions energy: -19.367 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.000 local terms energy: -31.227031 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -49.157476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.157476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.157476 (E_RNA) where: Base-Base interactions energy: -22.335 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.066 local terms energy: -26.757073 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -47.798460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.798460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.798460 (E_RNA) where: Base-Base interactions energy: -16.885 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.048 local terms energy: -30.866301 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.727 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: 10, replica: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -44.403274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.403274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.403274 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.000 local terms energy: -32.861418 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -5.312 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: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -67.047812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.047812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.047812 (E_RNA) where: Base-Base interactions energy: -31.919 where: short stacking energy: -31.919 Base-Backbone interact. energy: -0.000 local terms energy: -35.128668 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -8.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -69.112398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.112398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.112398 (E_RNA) where: Base-Base interactions energy: -35.500 where: short stacking energy: -28.057 Base-Backbone interact. energy: -0.006 local terms energy: -33.606581 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -9.021 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -53.916131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.916131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.916131 (E_RNA) where: Base-Base interactions energy: -25.255 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.002 local terms energy: -28.659462 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.863 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: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -63.292257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.292257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.292257 (E_RNA) where: Base-Base interactions energy: -26.769 where: short stacking energy: -26.769 Base-Backbone interact. energy: -0.000 local terms energy: -36.522464 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -53.304087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.304087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.304087 (E_RNA) where: Base-Base interactions energy: -20.292 where: short stacking energy: -20.292 Base-Backbone interact. energy: -0.000 local terms energy: -33.011557 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -5.813 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: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -60.895571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.895571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.895571 (E_RNA) where: Base-Base interactions energy: -27.988 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.946 local terms energy: -31.961934 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -48.152374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.152374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.152374 (E_RNA) where: Base-Base interactions energy: -19.509 where: short stacking energy: -19.509 Base-Backbone interact. energy: -0.081 local terms energy: -28.561917 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -43.461871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.461871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.461871 (E_RNA) where: Base-Base interactions energy: -14.211 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.002 local terms energy: -29.248511 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: 0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -49.065925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.065925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.065925 (E_RNA) where: Base-Base interactions energy: -22.703 where: short stacking energy: -18.962 Base-Backbone interact. energy: 0.209 local terms energy: -26.572397 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -4.651 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: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -43.943145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.943145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.943145 (E_RNA) where: Base-Base interactions energy: -13.736 where: short stacking energy: -13.736 Base-Backbone interact. energy: -0.064 local terms energy: -30.143627 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -65.321938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.321938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.321938 (E_RNA) where: Base-Base interactions energy: -27.612 where: short stacking energy: -26.459 Base-Backbone interact. energy: -0.003 local terms energy: -37.707122 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -64.380345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.380345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.380345 (E_RNA) where: Base-Base interactions energy: -28.256 where: short stacking energy: -28.256 Base-Backbone interact. energy: -0.053 local terms energy: -36.071370 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -58.431368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.431368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.431368 (E_RNA) where: Base-Base interactions energy: -23.472 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.000 local terms energy: -34.959849 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -59.216425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.216425 (E_RNA) where: Base-Base interactions energy: -23.379 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.007 local terms energy: -35.830774 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -8.430 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: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -51.738934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.738934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.738934 (E_RNA) where: Base-Base interactions energy: -20.091 where: short stacking energy: -20.091 Base-Backbone interact. energy: -0.287 local terms energy: -31.361797 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -60.829110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.829110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.829110 (E_RNA) where: Base-Base interactions energy: -25.084 where: short stacking energy: -25.084 Base-Backbone interact. energy: -0.001 local terms energy: -35.744788 where: bonds (distance) C4'-P energy: -4.003 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -49.150706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.150706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.150706 (E_RNA) where: Base-Base interactions energy: -18.443 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.323 local terms energy: -30.385520 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -6.166 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -5.252 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: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -45.390762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.390762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.390762 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -14.561 Base-Backbone interact. energy: -0.039 local terms energy: -30.790923 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -2.174 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: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -48.581280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.581280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.581280 (E_RNA) where: Base-Base interactions energy: -16.823 where: short stacking energy: -16.823 Base-Backbone interact. energy: -0.000 local terms energy: -31.757503 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -5.251 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: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -38.801321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.801321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.801321 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: 1.473 local terms energy: -28.604626 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -5.449 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -69.195298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.195298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.195298 (E_RNA) where: Base-Base interactions energy: -33.660 where: short stacking energy: -24.232 Base-Backbone interact. energy: -0.017 local terms energy: -35.517815 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -65.739148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.739148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.739148 (E_RNA) where: Base-Base interactions energy: -25.221 where: short stacking energy: -25.221 Base-Backbone interact. energy: -0.000 local terms energy: -40.517673 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -59.498458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.498458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.498458 (E_RNA) where: Base-Base interactions energy: -26.410 where: short stacking energy: -26.410 Base-Backbone interact. energy: -0.094 local terms energy: -32.995119 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -6.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -63.660841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.660841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.660841 (E_RNA) where: Base-Base interactions energy: -27.386 where: short stacking energy: -27.386 Base-Backbone interact. energy: -0.000 local terms energy: -36.274809 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.990 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -8.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -52.273432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.273432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.273432 (E_RNA) where: Base-Base interactions energy: -22.919 where: short stacking energy: -22.919 Base-Backbone interact. energy: -0.004 local terms energy: -29.350372 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -3.913 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: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -51.977020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.977020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.977020 (E_RNA) where: Base-Base interactions energy: -20.224 where: short stacking energy: -17.953 Base-Backbone interact. energy: -0.296 local terms energy: -31.457041 where: bonds (distance) C4'-P energy: -4.938 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -46.756573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.756573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.756573 (E_RNA) where: Base-Base interactions energy: -23.959 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.914 local terms energy: -21.883654 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.041 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -45.829905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.829905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.829905 (E_RNA) where: Base-Base interactions energy: -18.460 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.190 local terms energy: -27.179942 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -6.483 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: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -46.765172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.765172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.765172 (E_RNA) where: Base-Base interactions energy: -19.638 where: short stacking energy: -13.927 Base-Backbone interact. energy: -0.242 local terms energy: -26.885280 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -4.809 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: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -40.778800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.778800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.778800 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.047 local terms energy: -26.588340 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.398 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: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -65.741625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.741625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.741625 (E_RNA) where: Base-Base interactions energy: -31.182 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.084 local terms energy: -34.475917 where: bonds (distance) C4'-P energy: -2.886 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -6.460 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: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -56.373371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.373371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.373371 (E_RNA) where: Base-Base interactions energy: -25.427 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.006 local terms energy: -30.940302 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -5.909 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: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -53.518086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.518086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.518086 (E_RNA) where: Base-Base interactions energy: -22.894 where: short stacking energy: -15.798 Base-Backbone interact. energy: -0.958 local terms energy: -29.665540 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -54.084161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.084161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.084161 (E_RNA) where: Base-Base interactions energy: -17.489 where: short stacking energy: -17.489 Base-Backbone interact. energy: -0.000 local terms energy: -36.595164 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -60.624708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.624708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.624708 (E_RNA) where: Base-Base interactions energy: -25.907 where: short stacking energy: -25.907 Base-Backbone interact. energy: -0.000 local terms energy: -34.717112 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -6.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -52.039375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.039375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.039375 (E_RNA) where: Base-Base interactions energy: -20.524 where: short stacking energy: -20.524 Base-Backbone interact. energy: -0.002 local terms energy: -31.513457 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -50.989477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.989477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.989477 (E_RNA) where: Base-Base interactions energy: -21.252 where: short stacking energy: -21.252 Base-Backbone interact. energy: -0.000 local terms energy: -29.736638 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -2.188 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: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -49.083148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.083148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.083148 (E_RNA) where: Base-Base interactions energy: -15.606 where: short stacking energy: -15.606 Base-Backbone interact. energy: 0.579 local terms energy: -34.056694 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -4.873 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: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -49.257807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.257807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.257807 (E_RNA) where: Base-Base interactions energy: -24.710 where: short stacking energy: -24.710 Base-Backbone interact. energy: -0.100 local terms energy: -24.447046 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -1.170 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: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -42.156521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156521 (E_RNA) where: Base-Base interactions energy: -18.271 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.007 local terms energy: -23.878321 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -0.902 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -71.365334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.365334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.365334 (E_RNA) where: Base-Base interactions energy: -34.262 where: short stacking energy: -31.366 Base-Backbone interact. energy: -0.000 local terms energy: -37.103201 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -63.149470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.149470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.149470 (E_RNA) where: Base-Base interactions energy: -29.132 where: short stacking energy: -22.944 Base-Backbone interact. energy: -0.097 local terms energy: -33.919837 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -57.242568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.242568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.242568 (E_RNA) where: Base-Base interactions energy: -28.293 where: short stacking energy: -28.293 Base-Backbone interact. energy: -0.000 local terms energy: -28.949264 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -5.045 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.266 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: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -50.611144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.611144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.611144 (E_RNA) where: Base-Base interactions energy: -19.905 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.001 local terms energy: -30.705104 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -6.356 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: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -54.494128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.494128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.494128 (E_RNA) where: Base-Base interactions energy: -26.390 where: short stacking energy: -17.807 Base-Backbone interact. energy: -0.462 local terms energy: -27.641988 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -51.202840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.202840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.202840 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.000 local terms energy: -31.559648 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -4.484 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: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -41.527282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.527282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.527282 (E_RNA) where: Base-Base interactions energy: -15.814 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.002 local terms energy: -25.711002 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -2.132 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -45.799132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.799132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.799132 (E_RNA) where: Base-Base interactions energy: -16.763 where: short stacking energy: -16.763 Base-Backbone interact. energy: -0.000 local terms energy: -29.035584 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -40.559092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.559092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.559092 (E_RNA) where: Base-Base interactions energy: -15.524 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.190 local terms energy: -24.844673 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -4.699 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: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -42.269181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.269181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.269181 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.090 local terms energy: -27.988001 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -0.874 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: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -68.123972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.123972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.123972 (E_RNA) where: Base-Base interactions energy: -37.822 where: short stacking energy: -15.001 Base-Backbone interact. energy: 0.129 local terms energy: -30.431473 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -64.902231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.902231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.902231 (E_RNA) where: Base-Base interactions energy: -26.267 where: short stacking energy: -26.267 Base-Backbone interact. energy: -0.000 local terms energy: -38.634854 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -8.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -64.537573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.537573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.537573 (E_RNA) where: Base-Base interactions energy: -28.319 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.000 local terms energy: -36.218154 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -46.521603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.521603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.521603 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.003 local terms energy: -31.453572 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -6.940 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: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -48.243602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.243602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.243602 (E_RNA) where: Base-Base interactions energy: -15.646 where: short stacking energy: -15.646 Base-Backbone interact. energy: -0.131 local terms energy: -32.466649 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -47.327770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.327770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.327770 (E_RNA) where: Base-Base interactions energy: -22.295 where: short stacking energy: -22.295 Base-Backbone interact. energy: -0.050 local terms energy: -24.983672 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -2.076 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: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -57.347809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.347809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.347809 (E_RNA) where: Base-Base interactions energy: -28.876 where: short stacking energy: -18.090 Base-Backbone interact. energy: -0.011 local terms energy: -28.461275 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -5.076 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: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -42.944844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.944844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.944844 (E_RNA) where: Base-Base interactions energy: -14.373 where: short stacking energy: -14.373 Base-Backbone interact. energy: 0.054 local terms energy: -28.625962 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -3.998 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: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -47.139307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.139307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.139307 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -14.331 Base-Backbone interact. energy: -0.066 local terms energy: -27.292333 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -41.511495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.511495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.511495 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.002 local terms energy: -23.501044 where: bonds (distance) C4'-P energy: -2.840 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -4.495 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: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -71.476939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.476939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.476939 (E_RNA) where: Base-Base interactions energy: -36.468 where: short stacking energy: -36.468 Base-Backbone interact. energy: -0.000 local terms energy: -35.008995 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -64.013017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.013017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.013017 (E_RNA) where: Base-Base interactions energy: -33.336 where: short stacking energy: -23.596 Base-Backbone interact. energy: -0.004 local terms energy: -30.672933 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -4.536 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: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -57.637690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.637690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.637690 (E_RNA) where: Base-Base interactions energy: -24.655 where: short stacking energy: -24.008 Base-Backbone interact. energy: -0.086 local terms energy: -32.897436 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -52.599442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.599442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.599442 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.002 local terms energy: -31.234871 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -53.821216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.821216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.821216 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.013 local terms energy: -28.811864 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -2.857 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: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -48.207906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.207906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.207906 (E_RNA) where: Base-Base interactions energy: -18.117 where: short stacking energy: -17.016 Base-Backbone interact. energy: -0.156 local terms energy: -29.934538 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -47.595088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.595088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.595088 (E_RNA) where: Base-Base interactions energy: -18.539 where: short stacking energy: -18.539 Base-Backbone interact. energy: -0.173 local terms energy: -28.883405 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -6.075 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -44.919599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.919599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.919599 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -13.993 Base-Backbone interact. energy: -0.000 local terms energy: -29.179023 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -40.819668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.819668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.819668 (E_RNA) where: Base-Base interactions energy: -15.985 where: short stacking energy: -9.285 Base-Backbone interact. energy: -0.002 local terms energy: -24.832814 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: 2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -47.927042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.927042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.927042 (E_RNA) where: Base-Base interactions energy: -15.206 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.016 local terms energy: -32.704619 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -5.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -71.530321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.530321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.530321 (E_RNA) where: Base-Base interactions energy: -35.382 where: short stacking energy: -27.925 Base-Backbone interact. energy: -0.001 local terms energy: -36.147923 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -72.416009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.416009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.416009 (E_RNA) where: Base-Base interactions energy: -40.002 where: short stacking energy: -29.546 Base-Backbone interact. energy: -0.002 local terms energy: -32.411590 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -6.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -67.756586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.756586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.756586 (E_RNA) where: Base-Base interactions energy: -30.060 where: short stacking energy: -30.060 Base-Backbone interact. energy: -0.000 local terms energy: -37.696529 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -58.225264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.225264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.225264 (E_RNA) where: Base-Base interactions energy: -27.863 where: short stacking energy: -20.386 Base-Backbone interact. energy: -0.001 local terms energy: -30.360851 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -5.977 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: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -50.466098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.466098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.466098 (E_RNA) where: Base-Base interactions energy: -19.135 where: short stacking energy: -19.135 Base-Backbone interact. energy: -0.034 local terms energy: -31.297346 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -46.701324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.701324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.701324 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.012 local terms energy: -29.145253 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -57.912119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.912119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.912119 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -25.714 Base-Backbone interact. energy: -0.014 local terms energy: -32.183750 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -5.997 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: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -44.483158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.483158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.483158 (E_RNA) where: Base-Base interactions energy: -20.235 where: short stacking energy: -11.174 Base-Backbone interact. energy: -0.001 local terms energy: -24.246758 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -1.118 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -50.338887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.338887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.338887 (E_RNA) where: Base-Base interactions energy: -20.371 where: short stacking energy: -20.371 Base-Backbone interact. energy: -0.004 local terms energy: -29.963883 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -5.247 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -37.130310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.130310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.130310 (E_RNA) where: Base-Base interactions energy: -8.317 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.051 local terms energy: -28.762541 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -4.902 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: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -61.457430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.457430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.457430 (E_RNA) where: Base-Base interactions energy: -28.574 where: short stacking energy: -28.574 Base-Backbone interact. energy: -0.016 local terms energy: -32.867230 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -79.244299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.244299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.244299 (E_RNA) where: Base-Base interactions energy: -41.791 where: short stacking energy: -22.844 Base-Backbone interact. energy: -0.009 local terms energy: -37.444334 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -62.228590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.228590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.228590 (E_RNA) where: Base-Base interactions energy: -32.393 where: short stacking energy: -24.437 Base-Backbone interact. energy: -0.000 local terms energy: -29.835360 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -49.055726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.055726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.055726 (E_RNA) where: Base-Base interactions energy: -20.216 where: short stacking energy: -20.216 Base-Backbone interact. energy: -0.012 local terms energy: -28.828170 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -4.740 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: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -52.672635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.672635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.672635 (E_RNA) where: Base-Base interactions energy: -21.468 where: short stacking energy: -21.468 Base-Backbone interact. energy: -0.076 local terms energy: -31.128389 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -46.851838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.851838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.851838 (E_RNA) where: Base-Base interactions energy: -22.492 where: short stacking energy: -17.725 Base-Backbone interact. energy: -0.115 local terms energy: -24.244497 where: bonds (distance) C4'-P energy: -4.466 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -1.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -42.492933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.492933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.492933 (E_RNA) where: Base-Base interactions energy: -18.903 where: short stacking energy: -18.903 Base-Backbone interact. energy: -0.028 local terms energy: -23.562561 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -0.673 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -42.649128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.649128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.649128 (E_RNA) where: Base-Base interactions energy: -19.253 where: short stacking energy: -19.253 Base-Backbone interact. energy: -0.277 local terms energy: -23.118524 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.102 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: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -50.471103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.471103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.471103 (E_RNA) where: Base-Base interactions energy: -17.737 where: short stacking energy: -16.595 Base-Backbone interact. energy: -0.037 local terms energy: -32.696614 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -6.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -35.238866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.238866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.238866 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -6.746 Base-Backbone interact. energy: -0.267 local terms energy: -22.168668 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: 0.185 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: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -61.163585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.163585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.163585 (E_RNA) where: Base-Base interactions energy: -25.000 where: short stacking energy: -25.000 Base-Backbone interact. energy: -0.008 local terms energy: -36.155623 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -80.460281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.460281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.460281 (E_RNA) where: Base-Base interactions energy: -44.821 where: short stacking energy: -24.728 Base-Backbone interact. energy: -0.013 local terms energy: -35.626186 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -53.403905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.403905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.403905 (E_RNA) where: Base-Base interactions energy: -21.154 where: short stacking energy: -21.154 Base-Backbone interact. energy: -0.000 local terms energy: -32.249475 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -6.426 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: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -59.062882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.062882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.062882 (E_RNA) where: Base-Base interactions energy: -24.575 where: short stacking energy: -21.955 Base-Backbone interact. energy: -0.000 local terms energy: -34.487956 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -5.003 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: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -45.235381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.235381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.235381 (E_RNA) where: Base-Base interactions energy: -20.752 where: short stacking energy: -12.475 Base-Backbone interact. energy: -0.442 local terms energy: -24.040833 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -47.816646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.816646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.816646 (E_RNA) where: Base-Base interactions energy: -22.908 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.104 local terms energy: -24.804839 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -51.548024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548024 (E_RNA) where: Base-Base interactions energy: -26.350 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.006 local terms energy: -25.191794 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -3.630 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: 183 Temperature: 1.250000 Total energy: -42.718118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.718118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.718118 (E_RNA) where: Base-Base interactions energy: -14.938 where: short stacking energy: -4.033 Base-Backbone interact. energy: -0.237 local terms energy: -27.543837 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -46.537755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537755 (E_RNA) where: Base-Base interactions energy: -18.770 where: short stacking energy: -17.676 Base-Backbone interact. energy: -0.606 local terms energy: -27.161725 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -2.360 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: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -47.740791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.740791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.740791 (E_RNA) where: Base-Base interactions energy: -20.734 where: short stacking energy: -15.213 Base-Backbone interact. energy: -0.002 local terms energy: -27.004934 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -74.582584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.582584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.582584 (E_RNA) where: Base-Base interactions energy: -43.096 where: short stacking energy: -28.247 Base-Backbone interact. energy: -0.026 local terms energy: -31.460589 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -3.837 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -56.724267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.724267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.724267 (E_RNA) where: Base-Base interactions energy: -24.748 where: short stacking energy: -24.312 Base-Backbone interact. energy: -0.002 local terms energy: -31.974433 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -2.863 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: 184 Temperature: 1.000000 Total energy: -62.254936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.254936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.254936 (E_RNA) where: Base-Base interactions energy: -23.995 where: short stacking energy: -23.991 Base-Backbone interact. energy: -0.021 local terms energy: -38.238778 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.561 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: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -53.262642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.262642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.262642 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.007 local terms energy: -36.056541 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -6.842 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: 184 Temperature: 1.100000 Total energy: -48.706663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.706663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.706663 (E_RNA) where: Base-Base interactions energy: -20.178 where: short stacking energy: -20.178 Base-Backbone interact. energy: -0.001 local terms energy: -28.527777 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -50.201168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.201168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.201168 (E_RNA) where: Base-Base interactions energy: -17.663 where: short stacking energy: -17.663 Base-Backbone interact. energy: -0.074 local terms energy: -32.463929 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -6.509 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -7.287 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: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -45.164065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.164065 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -13.790 Base-Backbone interact. energy: -0.579 local terms energy: -28.078505 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -43.081838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.081838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.081838 (E_RNA) where: Base-Base interactions energy: -14.804 where: short stacking energy: -14.804 Base-Backbone interact. energy: -0.048 local terms energy: -28.229666 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -0.701 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: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -42.928535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.928535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.928535 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.048 local terms energy: -27.323374 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -50.808254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.808254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.808254 (E_RNA) where: Base-Base interactions energy: -18.205 where: short stacking energy: -18.205 Base-Backbone interact. energy: -0.004 local terms energy: -32.599075 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.708 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -73.162807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.162807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.162807 (E_RNA) where: Base-Base interactions energy: -36.729 where: short stacking energy: -25.642 Base-Backbone interact. energy: -0.091 local terms energy: -36.342398 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -68.099723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.099723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.099723 (E_RNA) where: Base-Base interactions energy: -31.072 where: short stacking energy: -31.072 Base-Backbone interact. energy: -0.000 local terms energy: -37.027409 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -10.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -51.017823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.017823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.017823 (E_RNA) where: Base-Base interactions energy: -22.225 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.022 local terms energy: -28.770683 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -58.466925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.466925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.466925 (E_RNA) where: Base-Base interactions energy: -30.123 where: short stacking energy: -30.123 Base-Backbone interact. energy: -0.022 local terms energy: -28.321810 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -2.777 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: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -49.387137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.387137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.387137 (E_RNA) where: Base-Base interactions energy: -20.080 where: short stacking energy: -17.693 Base-Backbone interact. energy: -0.005 local terms energy: -29.302174 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -43.496945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.496945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.496945 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.001 local terms energy: -29.340379 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -42.935035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.935035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.935035 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.304 local terms energy: -26.916420 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -51.919547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.919547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.919547 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -22.713 Base-Backbone interact. energy: -0.003 local terms energy: -29.203517 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -37.538993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.538993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.538993 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.001 local terms energy: -24.541736 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -0.465 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: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -39.994247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.994247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.994247 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.230 local terms energy: -29.946058 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -76.784379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.784379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.784379 (E_RNA) where: Base-Base interactions energy: -43.872 where: short stacking energy: -23.951 Base-Backbone interact. energy: -0.090 local terms energy: -32.822249 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -5.704 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: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -64.496541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.496541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.496541 (E_RNA) where: Base-Base interactions energy: -25.679 where: short stacking energy: -25.679 Base-Backbone interact. energy: -0.000 local terms energy: -38.817814 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -50.999920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.999920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.999920 (E_RNA) where: Base-Base interactions energy: -21.780 where: short stacking energy: -11.387 Base-Backbone interact. energy: -0.536 local terms energy: -28.684327 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -57.367978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.367978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.367978 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.000 local terms energy: -33.070125 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -6.152 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: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -50.902692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.902692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.902692 (E_RNA) where: Base-Base interactions energy: -17.462 where: short stacking energy: -17.462 Base-Backbone interact. energy: -0.000 local terms energy: -33.440675 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -45.036270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.036270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.036270 (E_RNA) where: Base-Base interactions energy: -18.973 where: short stacking energy: -18.973 Base-Backbone interact. energy: -0.006 local terms energy: -26.057165 where: bonds (distance) C4'-P energy: -4.769 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -47.412580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.412580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.412580 (E_RNA) where: Base-Base interactions energy: -15.249 where: short stacking energy: -15.249 Base-Backbone interact. energy: -0.005 local terms energy: -32.158416 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -4.063 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: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -46.349492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.349492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.349492 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.044 local terms energy: -31.762455 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -44.012043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.012043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.012043 (E_RNA) where: Base-Base interactions energy: -13.781 where: short stacking energy: -13.781 Base-Backbone interact. energy: -0.009 local terms energy: -30.221835 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -41.451667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.451667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.451667 (E_RNA) where: Base-Base interactions energy: -16.729 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.085 local terms energy: -24.637889 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -1.508 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -73.759145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.759145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.759145 (E_RNA) where: Base-Base interactions energy: -38.292 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.043 local terms energy: -35.424523 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -69.042185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.042185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.042185 (E_RNA) where: Base-Base interactions energy: -37.833 where: short stacking energy: -29.012 Base-Backbone interact. energy: -0.001 local terms energy: -31.208158 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -9.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -53.967292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.967292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.967292 (E_RNA) where: Base-Base interactions energy: -24.843 where: short stacking energy: -14.175 Base-Backbone interact. energy: 0.218 local terms energy: -29.342106 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -53.811032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.811032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.811032 (E_RNA) where: Base-Base interactions energy: -24.914 where: short stacking energy: -18.776 Base-Backbone interact. energy: 0.793 local terms energy: -29.689917 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -2.560 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: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -51.946143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.946143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.946143 (E_RNA) where: Base-Base interactions energy: -17.001 where: short stacking energy: -17.001 Base-Backbone interact. energy: -0.015 local terms energy: -34.930530 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -57.418214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.418214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.418214 (E_RNA) where: Base-Base interactions energy: -28.108 where: short stacking energy: -14.890 Base-Backbone interact. energy: 0.285 local terms energy: -29.595017 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -7.189 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: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -60.760282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.760282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.760282 (E_RNA) where: Base-Base interactions energy: -29.238 where: short stacking energy: -28.229 Base-Backbone interact. energy: -0.002 local terms energy: -31.520508 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -3.749 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: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -47.760480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.760480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.760480 (E_RNA) where: Base-Base interactions energy: -15.309 where: short stacking energy: -15.309 Base-Backbone interact. energy: 1.169 local terms energy: -33.620576 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -6.732 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: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -46.246913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.246913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.246913 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.396 local terms energy: -18.800641 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -3.118 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: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -43.652900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.652900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.652900 (E_RNA) where: Base-Base interactions energy: -16.457 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.004 local terms energy: -27.191998 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -60.504004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.504004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.504004 (E_RNA) where: Base-Base interactions energy: -28.650 where: short stacking energy: -22.182 Base-Backbone interact. energy: -0.609 local terms energy: -31.244958 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -65.616672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.616672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.616672 (E_RNA) where: Base-Base interactions energy: -34.033 where: short stacking energy: -20.647 Base-Backbone interact. energy: -0.055 local terms energy: -31.528506 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -3.540 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: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -56.945452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.945452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.945452 (E_RNA) where: Base-Base interactions energy: -22.430 where: short stacking energy: -22.430 Base-Backbone interact. energy: -0.097 local terms energy: -34.417698 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -66.755337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.755337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.755337 (E_RNA) where: Base-Base interactions energy: -34.061 where: short stacking energy: -27.884 Base-Backbone interact. energy: 1.629 local terms energy: -34.323304 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.201 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: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -56.664430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.664430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.664430 (E_RNA) where: Base-Base interactions energy: -31.697 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.064 local terms energy: -24.903485 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -5.622 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -52.055338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.055338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.055338 (E_RNA) where: Base-Base interactions energy: -19.047 where: short stacking energy: -19.047 Base-Backbone interact. energy: -0.054 local terms energy: -32.954965 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -46.009181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.009181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.009181 (E_RNA) where: Base-Base interactions energy: -14.102 where: short stacking energy: -14.102 Base-Backbone interact. energy: -0.010 local terms energy: -31.897367 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -43.519569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.519569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.519569 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.043 local terms energy: -31.370739 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -43.966066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.966066 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.000 local terms energy: -26.097151 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -44.238640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.238640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.238640 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.088 local terms energy: -30.184434 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -85.813508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.813508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.813508 (E_RNA) where: Base-Base interactions energy: -47.097 where: short stacking energy: -30.410 Base-Backbone interact. energy: 0.017 local terms energy: -38.733259 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -8.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -62.729505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.729505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.729505 (E_RNA) where: Base-Base interactions energy: -28.445 where: short stacking energy: -25.073 Base-Backbone interact. energy: -0.000 local terms energy: -34.284084 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -53.023959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.023959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.023959 (E_RNA) where: Base-Base interactions energy: -24.930 where: short stacking energy: -21.599 Base-Backbone interact. energy: -0.000 local terms energy: -28.093391 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -54.934510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.934510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.934510 (E_RNA) where: Base-Base interactions energy: -21.568 where: short stacking energy: -21.568 Base-Backbone interact. energy: 0.192 local terms energy: -33.557827 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.584 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: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -56.595880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.595880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.595880 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -17.927 Base-Backbone interact. energy: -0.048 local terms energy: -28.226881 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -5.321 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: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -54.550580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.550580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.550580 (E_RNA) where: Base-Base interactions energy: -21.418 where: short stacking energy: -21.099 Base-Backbone interact. energy: -0.090 local terms energy: -33.042261 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -4.341 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: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -44.558806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.558806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.558806 (E_RNA) where: Base-Base interactions energy: -19.127 where: short stacking energy: -13.485 Base-Backbone interact. energy: -0.156 local terms energy: -25.275341 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -48.028624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.028624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.028624 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.016 local terms energy: -31.373188 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -51.695479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.695479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.695479 (E_RNA) where: Base-Base interactions energy: -19.790 where: short stacking energy: -19.790 Base-Backbone interact. energy: -0.144 local terms energy: -31.760774 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -43.348547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.348547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.348547 (E_RNA) where: Base-Base interactions energy: -14.492 where: short stacking energy: -14.198 Base-Backbone interact. energy: -0.004 local terms energy: -28.853329 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -6.342 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: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -58.475647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.475647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.475647 (E_RNA) where: Base-Base interactions energy: -24.549 where: short stacking energy: -24.549 Base-Backbone interact. energy: -0.127 local terms energy: -33.799111 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -4.071 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: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -71.668641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.668641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.668641 (E_RNA) where: Base-Base interactions energy: -34.057 where: short stacking energy: -30.877 Base-Backbone interact. energy: -0.015 local terms energy: -37.596572 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -58.633129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.633129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.633129 (E_RNA) where: Base-Base interactions energy: -25.290 where: short stacking energy: -25.290 Base-Backbone interact. energy: -0.048 local terms energy: -33.294723 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: -6.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -49.766982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.766982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.766982 (E_RNA) where: Base-Base interactions energy: -18.697 where: short stacking energy: -18.697 Base-Backbone interact. energy: -0.002 local terms energy: -31.068239 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -3.855 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: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -54.002505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.002505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.002505 (E_RNA) where: Base-Base interactions energy: -27.575 where: short stacking energy: -17.736 Base-Backbone interact. energy: 0.126 local terms energy: -26.554162 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -6.471 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -3.887 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: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -49.512440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.512440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.512440 (E_RNA) where: Base-Base interactions energy: -21.935 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.001 local terms energy: -27.576389 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -0.569 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: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -47.329120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.329120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.329120 (E_RNA) where: Base-Base interactions energy: -19.333 where: short stacking energy: -13.917 Base-Backbone interact. energy: -0.009 local terms energy: -27.986532 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -5.061 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: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -46.235933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.235933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.235933 (E_RNA) where: Base-Base interactions energy: -15.527 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.066 local terms energy: -30.642240 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -6.100 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: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -41.974323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.974323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.974323 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -14.536 Base-Backbone interact. energy: -0.010 local terms energy: -25.487201 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -2.308 flat angles P-C4'-P energy: -4.637 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: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -41.346530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.346530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.346530 (E_RNA) where: Base-Base interactions energy: -13.586 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.001 local terms energy: -27.759101 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -56.551830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.551830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.551830 (E_RNA) where: Base-Base interactions energy: -17.620 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.000 local terms energy: -38.931250 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -7.136 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: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -59.046338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.046338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.046338 (E_RNA) where: Base-Base interactions energy: -25.732 where: short stacking energy: -25.732 Base-Backbone interact. energy: -0.077 local terms energy: -33.237343 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -3.668 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -53.838100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.838100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.838100 (E_RNA) where: Base-Base interactions energy: -24.527 where: short stacking energy: -24.527 Base-Backbone interact. energy: -0.090 local terms energy: -29.220844 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -63.465323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.465323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.465323 (E_RNA) where: Base-Base interactions energy: -32.530 where: short stacking energy: -27.958 Base-Backbone interact. energy: -0.002 local terms energy: -30.933176 where: bonds (distance) C4'-P energy: -6.127 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -52.394448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.394448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.394448 (E_RNA) where: Base-Base interactions energy: -19.948 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.000 local terms energy: -32.446650 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -3.488 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: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -45.462803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.462803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.462803 (E_RNA) where: Base-Base interactions energy: -19.509 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.085 local terms energy: -25.869614 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -48.834460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.834460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.834460 (E_RNA) where: Base-Base interactions energy: -17.478 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.030 local terms energy: -31.327106 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -5.495 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: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -49.469231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469231 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -14.314 Base-Backbone interact. energy: -0.006 local terms energy: -32.187670 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -3.567 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -41.446054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.446054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.446054 (E_RNA) where: Base-Base interactions energy: -15.531 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.038 local terms energy: -25.876794 where: bonds (distance) C4'-P energy: -4.110 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -51.274623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.274623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.274623 (E_RNA) where: Base-Base interactions energy: -20.923 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.059 local terms energy: -30.292367 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -5.830 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: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -59.697602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.697602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.697602 (E_RNA) where: Base-Base interactions energy: -21.890 where: short stacking energy: -21.890 Base-Backbone interact. energy: -0.007 local terms energy: -37.800644 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -64.588174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.588174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.588174 (E_RNA) where: Base-Base interactions energy: -27.482 where: short stacking energy: -27.482 Base-Backbone interact. energy: -0.000 local terms energy: -37.106334 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -76.254540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.254540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.254540 (E_RNA) where: Base-Base interactions energy: -43.735 where: short stacking energy: -24.923 Base-Backbone interact. energy: -0.727 local terms energy: -31.792998 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -5.145 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: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -53.938234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.938234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.938234 (E_RNA) where: Base-Base interactions energy: -19.827 where: short stacking energy: -19.364 Base-Backbone interact. energy: -0.023 local terms energy: -34.088868 where: bonds (distance) C4'-P energy: -6.011 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -6.117 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: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -62.520861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.520861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.520861 (E_RNA) where: Base-Base interactions energy: -24.414 where: short stacking energy: -24.414 Base-Backbone interact. energy: -0.000 local terms energy: -38.107295 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -47.295643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.295643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.295643 (E_RNA) where: Base-Base interactions energy: -16.941 where: short stacking energy: -14.587 Base-Backbone interact. energy: -0.399 local terms energy: -29.955314 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -56.233705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.233705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.233705 (E_RNA) where: Base-Base interactions energy: -20.214 where: short stacking energy: -20.158 Base-Backbone interact. energy: -0.000 local terms energy: -36.019159 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -42.972048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.972048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.972048 (E_RNA) where: Base-Base interactions energy: -15.491 where: short stacking energy: -15.491 Base-Backbone interact. energy: -0.000 local terms energy: -27.480842 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -42.878231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.878231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.878231 (E_RNA) where: Base-Base interactions energy: -13.442 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.122 local terms energy: -29.313969 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -40.167519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.167519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.167519 (E_RNA) where: Base-Base interactions energy: -12.928 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.107 local terms energy: -27.132374 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -5.292 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: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -62.952821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.952821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.952821 (E_RNA) where: Base-Base interactions energy: -25.586 where: short stacking energy: -25.586 Base-Backbone interact. energy: -0.097 local terms energy: -37.269851 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -6.470 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: 193 Temperature: 0.950000 Total energy: -72.641089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.641089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.641089 (E_RNA) where: Base-Base interactions energy: -39.374 where: short stacking energy: -21.563 Base-Backbone interact. energy: -0.038 local terms energy: -33.228952 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -62.258390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.258390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.258390 (E_RNA) where: Base-Base interactions energy: -26.968 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.000 local terms energy: -35.290447 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -58.196339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.196339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.196339 (E_RNA) where: Base-Base interactions energy: -29.155 where: short stacking energy: -18.922 Base-Backbone interact. energy: -0.090 local terms energy: -28.951495 where: bonds (distance) C4'-P energy: -5.352 bonds (distance) P-C4' energy: -6.705 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -52.545562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.545562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.545562 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -17.396 Base-Backbone interact. energy: -0.012 local terms energy: -27.047891 where: bonds (distance) C4'-P energy: -5.414 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.040 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: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -47.371824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.371824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.371824 (E_RNA) where: Base-Base interactions energy: -21.101 where: short stacking energy: -18.225 Base-Backbone interact. energy: -0.006 local terms energy: -26.264213 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -53.124635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.124635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.124635 (E_RNA) where: Base-Base interactions energy: -22.676 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.110 local terms energy: -30.339025 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.042 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: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -47.438194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.438194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.438194 (E_RNA) where: Base-Base interactions energy: -19.248 where: short stacking energy: -19.248 Base-Backbone interact. energy: -0.020 local terms energy: -28.169771 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.433 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: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -42.536920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.536920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.536920 (E_RNA) where: Base-Base interactions energy: -9.569 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.001 local terms energy: -32.967837 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.135 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: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -43.349134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.349134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.349134 (E_RNA) where: Base-Base interactions energy: -20.697 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.149 local terms energy: -22.503081 where: bonds (distance) C4'-P energy: -2.811 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.632 flat angles P-C4'-P energy: -2.965 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: 1, replica: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -63.877122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.877122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.877122 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -26.975 Base-Backbone interact. energy: -0.085 local terms energy: -36.817009 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -60.617194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.617194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.617194 (E_RNA) where: Base-Base interactions energy: -24.628 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.001 local terms energy: -35.988344 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -55.487608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.487608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.487608 (E_RNA) where: Base-Base interactions energy: -21.821 where: short stacking energy: -21.821 Base-Backbone interact. energy: -0.005 local terms energy: -33.661089 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.511 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -5.652 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: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -55.660266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.660266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.660266 (E_RNA) where: Base-Base interactions energy: -21.575 where: short stacking energy: -21.575 Base-Backbone interact. energy: -0.000 local terms energy: -34.085387 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -54.164267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.164267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.164267 (E_RNA) where: Base-Base interactions energy: -25.880 where: short stacking energy: -25.880 Base-Backbone interact. energy: -0.007 local terms energy: -28.276966 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.362 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: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -48.481034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.481034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.481034 (E_RNA) where: Base-Base interactions energy: -22.114 where: short stacking energy: -22.114 Base-Backbone interact. energy: -0.003 local terms energy: -26.364150 where: bonds (distance) C4'-P energy: -3.901 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -49.046945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046945 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.014 local terms energy: -28.539385 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -49.435457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.435457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.435457 (E_RNA) where: Base-Base interactions energy: -19.612 where: short stacking energy: -19.612 Base-Backbone interact. energy: -0.002 local terms energy: -29.821359 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -2.791 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: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -46.771740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.771740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.771740 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.002 local terms energy: -23.696021 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -1.305 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -42.511314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.511314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.511314 (E_RNA) where: Base-Base interactions energy: -15.000 where: short stacking energy: -15.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.511403 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -57.291826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.291826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.291826 (E_RNA) where: Base-Base interactions energy: -23.168 where: short stacking energy: -20.679 Base-Backbone interact. energy: -0.006 local terms energy: -34.118678 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -5.252 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: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -59.431340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.431340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.431340 (E_RNA) where: Base-Base interactions energy: -28.737 where: short stacking energy: -27.635 Base-Backbone interact. energy: -0.004 local terms energy: -30.689884 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -2.323 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -66.195664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.195664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.195664 (E_RNA) where: Base-Base interactions energy: -29.336 where: short stacking energy: -29.336 Base-Backbone interact. energy: -0.000 local terms energy: -36.859451 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -7.396 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: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -58.286316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.286316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.286316 (E_RNA) where: Base-Base interactions energy: -24.219 where: short stacking energy: -24.219 Base-Backbone interact. energy: -0.001 local terms energy: -34.066354 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -7.135 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -5.383 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: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -54.115885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.115885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.115885 (E_RNA) where: Base-Base interactions energy: -25.076 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.199 local terms energy: -28.841497 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -49.316459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.316459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.316459 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -20.096 Base-Backbone interact. energy: -0.018 local terms energy: -28.351183 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -53.179979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.179979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.179979 (E_RNA) where: Base-Base interactions energy: -21.480 where: short stacking energy: -21.480 Base-Backbone interact. energy: -0.000 local terms energy: -31.699418 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -52.450459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.450459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.450459 (E_RNA) where: Base-Base interactions energy: -25.659 where: short stacking energy: -22.462 Base-Backbone interact. energy: 1.797 local terms energy: -28.588812 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -3.101 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: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -41.111797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.111797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.111797 (E_RNA) where: Base-Base interactions energy: -17.735 where: short stacking energy: -17.735 Base-Backbone interact. energy: -0.102 local terms energy: -23.274502 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -2.924 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -0.189 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: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -42.871084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.871084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.871084 (E_RNA) where: Base-Base interactions energy: -15.399 where: short stacking energy: -11.755 Base-Backbone interact. energy: -1.676 local terms energy: -25.795885 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -6.684 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -62.380832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.380832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.380832 (E_RNA) where: Base-Base interactions energy: -27.832 where: short stacking energy: -27.832 Base-Backbone interact. energy: -0.004 local terms energy: -34.544886 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -59.415945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.415945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.415945 (E_RNA) where: Base-Base interactions energy: -25.150 where: short stacking energy: -25.150 Base-Backbone interact. energy: -0.007 local terms energy: -34.259428 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.756 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -55.833098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.833098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.833098 (E_RNA) where: Base-Base interactions energy: -22.850 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.089 local terms energy: -32.894553 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -57.056386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.056386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.056386 (E_RNA) where: Base-Base interactions energy: -24.766 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.000 local terms energy: -32.290644 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -51.810471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.810471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.810471 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.005 local terms energy: -31.311092 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -44.863467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.863467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.863467 (E_RNA) where: Base-Base interactions energy: -20.337 where: short stacking energy: -12.261 Base-Backbone interact. energy: -1.242 local terms energy: -23.284214 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: 3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -51.560462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.560462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.560462 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -20.284 Base-Backbone interact. energy: -0.009 local terms energy: -31.267693 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -44.835139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.835139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.835139 (E_RNA) where: Base-Base interactions energy: -20.793 where: short stacking energy: -20.793 Base-Backbone interact. energy: -0.014 local terms energy: -24.028256 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -3.389 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -5.030 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: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -46.629010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.629010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.629010 (E_RNA) where: Base-Base interactions energy: -18.007 where: short stacking energy: -18.007 Base-Backbone interact. energy: -0.001 local terms energy: -28.621743 where: bonds (distance) C4'-P energy: -4.234 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -5.402 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: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -42.607409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.607409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.607409 (E_RNA) where: Base-Base interactions energy: -20.433 where: short stacking energy: -17.459 Base-Backbone interact. energy: -0.017 local terms energy: -22.157230 where: bonds (distance) C4'-P energy: 1.177 bonds (distance) P-C4' energy: -7.269 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -66.245668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.245668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.245668 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -27.665 Base-Backbone interact. energy: -0.001 local terms energy: -38.579873 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -60.429411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.429411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.429411 (E_RNA) where: Base-Base interactions energy: -27.771 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.027 local terms energy: -32.630856 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -64.060742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.060742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.060742 (E_RNA) where: Base-Base interactions energy: -31.446 where: short stacking energy: -31.446 Base-Backbone interact. energy: -0.000 local terms energy: -32.614490 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -9.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -49.363559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.363559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.363559 (E_RNA) where: Base-Base interactions energy: -18.612 where: short stacking energy: -16.795 Base-Backbone interact. energy: -1.396 local terms energy: -29.355678 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.868 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: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -57.993595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.993595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.993595 (E_RNA) where: Base-Base interactions energy: -29.557 where: short stacking energy: -21.515 Base-Backbone interact. energy: -0.064 local terms energy: -28.373045 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -3.384 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: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -61.770808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.770808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.770808 (E_RNA) where: Base-Base interactions energy: -29.689 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.012 local terms energy: -32.070167 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -5.450 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: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -56.628415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.628415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.628415 (E_RNA) where: Base-Base interactions energy: -20.811 where: short stacking energy: -20.811 Base-Backbone interact. energy: -0.011 local terms energy: -35.806279 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -49.357305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.357305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.357305 (E_RNA) where: Base-Base interactions energy: -22.206 where: short stacking energy: -22.039 Base-Backbone interact. energy: -0.001 local terms energy: -27.150744 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -3.860 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: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -41.046793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.046793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.046793 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -9.490 Base-Backbone interact. energy: -0.000 local terms energy: -28.362848 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -0.590 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -35.459744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.459744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.459744 (E_RNA) where: Base-Base interactions energy: -8.564 where: short stacking energy: -8.564 Base-Backbone interact. energy: 0.014 local terms energy: -26.910043 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -71.699103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.699103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.699103 (E_RNA) where: Base-Base interactions energy: -37.992 where: short stacking energy: -20.038 Base-Backbone interact. energy: -0.027 local terms energy: -33.679512 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -66.856640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.856640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.856640 (E_RNA) where: Base-Base interactions energy: -34.155 where: short stacking energy: -34.155 Base-Backbone interact. energy: -0.000 local terms energy: -32.701210 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -62.804385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.804385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.804385 (E_RNA) where: Base-Base interactions energy: -29.585 where: short stacking energy: -29.585 Base-Backbone interact. energy: -0.009 local terms energy: -33.211046 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.064 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -7.042 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: 198 Temperature: 1.050000 Total energy: -44.496742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.496742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.496742 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.035 Base-Backbone interact. energy: -0.029 local terms energy: -33.673520 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -1.572 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -47.938530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.938530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.938530 (E_RNA) where: Base-Base interactions energy: -26.808 where: short stacking energy: -11.168 Base-Backbone interact. energy: 0.519 local terms energy: -21.649121 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -5.088 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -44.504312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.504312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.504312 (E_RNA) where: Base-Base interactions energy: -23.610 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.021 local terms energy: -20.873160 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -4.481 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -5.147 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: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -46.842811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.842811 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -16.839 Base-Backbone interact. energy: -0.001 local terms energy: -26.312073 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -2.541 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: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -40.110206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.110206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.110206 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.001 local terms energy: -27.093266 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -6.134 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: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -50.765892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.765892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.765892 (E_RNA) where: Base-Base interactions energy: -21.378 where: short stacking energy: -21.378 Base-Backbone interact. energy: -0.098 local terms energy: -29.289630 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -7.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -43.207854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.207854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.207854 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.097 local terms energy: -29.087965 where: bonds (distance) C4'-P energy: -6.242 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -75.385815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.385815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.385815 (E_RNA) where: Base-Base interactions energy: -36.795 where: short stacking energy: -29.279 Base-Backbone interact. energy: -0.001 local terms energy: -38.590247 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.382 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -63.852343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.852343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.852343 (E_RNA) where: Base-Base interactions energy: -26.503 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.000 local terms energy: -37.348946 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -64.344457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.344457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.344457 (E_RNA) where: Base-Base interactions energy: -31.183 where: short stacking energy: -27.221 Base-Backbone interact. energy: -0.010 local terms energy: -33.150990 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -60.780813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.780813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.780813 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -22.386 Base-Backbone interact. energy: -0.075 local terms energy: -35.254482 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -3.622 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: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -54.431936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.431936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.431936 (E_RNA) where: Base-Base interactions energy: -22.972 where: short stacking energy: -15.975 Base-Backbone interact. energy: -0.000 local terms energy: -31.460055 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -47.070522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.070522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.070522 (E_RNA) where: Base-Base interactions energy: -17.942 where: short stacking energy: -12.531 Base-Backbone interact. energy: -0.104 local terms energy: -29.024818 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -47.968701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.968701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.968701 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.001 local terms energy: -29.730186 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -3.396 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: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -44.640639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.640639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.640639 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.002 local terms energy: -32.530285 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -6.308 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: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -49.599523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.599523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.599523 (E_RNA) where: Base-Base interactions energy: -20.599 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.001 local terms energy: -28.999380 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.137 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -43.321509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.321509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.321509 (E_RNA) where: Base-Base interactions energy: -18.560 where: short stacking energy: -18.560 Base-Backbone interact. energy: -0.000 local terms energy: -24.761432 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: 0.877 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -57.540404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.540404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.540404 (E_RNA) where: Base-Base interactions energy: -28.296 where: short stacking energy: -28.296 Base-Backbone interact. energy: -0.118 local terms energy: -29.126559 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -77.992625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.992625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.992625 (E_RNA) where: Base-Base interactions energy: -42.154 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.000 local terms energy: -35.838447 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -68.394518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.394518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.394518 (E_RNA) where: Base-Base interactions energy: -29.723 where: short stacking energy: -29.723 Base-Backbone interact. energy: -0.285 local terms energy: -38.386236 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -8.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -63.144232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.144232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.144232 (E_RNA) where: Base-Base interactions energy: -25.008 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.010 local terms energy: -38.126198 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -52.250050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.250050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.250050 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -18.560 Base-Backbone interact. energy: -0.168 local terms energy: -30.324729 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -4.229 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -47.238165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.238165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.238165 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -22.393 Base-Backbone interact. energy: -0.062 local terms energy: -24.783545 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -43.652647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.652647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.652647 (E_RNA) where: Base-Base interactions energy: -21.541 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.100 local terms energy: -22.011696 where: bonds (distance) C4'-P energy: 0.046 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -46.501770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.501770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.501770 (E_RNA) where: Base-Base interactions energy: -16.759 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.104 local terms energy: -29.637901 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -4.735 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: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -44.588027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.588027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.588027 (E_RNA) where: Base-Base interactions energy: -15.433 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.038 local terms energy: -29.117369 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.748 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: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -49.713163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713163 (E_RNA) where: Base-Base interactions energy: -20.458 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.002 local terms energy: -29.252653 where: bonds (distance) C4'-P energy: -5.236 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -59.338628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.338628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.338628 (E_RNA) where: Base-Base interactions energy: -24.882 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.002 local terms energy: -34.454268 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -69.331014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.331014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.331014 (E_RNA) where: Base-Base interactions energy: -37.966 where: short stacking energy: -25.625 Base-Backbone interact. energy: -0.000 local terms energy: -31.364783 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -1.793 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: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -67.420347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.420347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.420347 (E_RNA) where: Base-Base interactions energy: -30.744 where: short stacking energy: -30.744 Base-Backbone interact. energy: -0.000 local terms energy: -36.675786 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -49.336160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.336160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.336160 (E_RNA) where: Base-Base interactions energy: -22.100 where: short stacking energy: -18.186 Base-Backbone interact. energy: -0.090 local terms energy: -27.146122 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -4.021 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: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -51.107265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.107265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.107265 (E_RNA) where: Base-Base interactions energy: -22.810 where: short stacking energy: -17.120 Base-Backbone interact. energy: -0.000 local terms energy: -28.296675 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.688 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -2.293 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: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -52.119776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.119776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.119776 (E_RNA) where: Base-Base interactions energy: -18.935 where: short stacking energy: -18.935 Base-Backbone interact. energy: -0.004 local terms energy: -33.180479 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -4.312 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: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -43.128739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.128739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.128739 (E_RNA) where: Base-Base interactions energy: -20.354 where: short stacking energy: -9.186 Base-Backbone interact. energy: 0.843 local terms energy: -23.618128 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -48.047681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.047681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.047681 (E_RNA) where: Base-Base interactions energy: -23.315 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.002 local terms energy: -24.731493 where: bonds (distance) C4'-P energy: -2.305 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -53.957932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.957932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.957932 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -18.241 Base-Backbone interact. energy: -0.640 local terms energy: -25.870336 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -1.639 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -45.954757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.954757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.954757 (E_RNA) where: Base-Base interactions energy: -16.731 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.001 local terms energy: -29.222157 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.513 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: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -65.245200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.245200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.245200 (E_RNA) where: Base-Base interactions energy: -25.915 where: short stacking energy: -25.915 Base-Backbone interact. energy: -0.005 local terms energy: -39.325625 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.192 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -7.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -67.081730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.081730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.081730 (E_RNA) where: Base-Base interactions energy: -33.374 where: short stacking energy: -18.673 Base-Backbone interact. energy: -0.003 local terms energy: -33.704975 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -4.901 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: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -67.449627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.449627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.449627 (E_RNA) where: Base-Base interactions energy: -35.196 where: short stacking energy: -19.063 Base-Backbone interact. energy: 0.136 local terms energy: -32.390446 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -52.499731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.499731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.499731 (E_RNA) where: Base-Base interactions energy: -23.823 where: short stacking energy: -23.823 Base-Backbone interact. energy: -0.003 local terms energy: -28.673989 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.909 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: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -56.078399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.078399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.078399 (E_RNA) where: Base-Base interactions energy: -23.463 where: short stacking energy: -23.463 Base-Backbone interact. energy: -0.000 local terms energy: -32.615454 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -6.255 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -9.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -49.205520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.205520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.205520 (E_RNA) where: Base-Base interactions energy: -18.659 where: short stacking energy: -18.501 Base-Backbone interact. energy: -0.004 local terms energy: -30.542721 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.080 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: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -50.871491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.871491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.871491 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -17.487 Base-Backbone interact. energy: -0.098 local terms energy: -33.286560 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -54.248791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.248791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.248791 (E_RNA) where: Base-Base interactions energy: -17.068 where: short stacking energy: -17.068 Base-Backbone interact. energy: -0.000 local terms energy: -37.180648 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -7.164 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: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -46.642694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.642694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.642694 (E_RNA) where: Base-Base interactions energy: -18.975 where: short stacking energy: -16.366 Base-Backbone interact. energy: -0.401 local terms energy: -27.267187 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -3.460 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: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -48.388785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.388785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.388785 (E_RNA) where: Base-Base interactions energy: -24.753 where: short stacking energy: -17.102 Base-Backbone interact. energy: -0.004 local terms energy: -23.631277 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -0.689 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: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -59.737753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.737753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.737753 (E_RNA) where: Base-Base interactions energy: -21.644 where: short stacking energy: -21.644 Base-Backbone interact. energy: -0.003 local terms energy: -38.091288 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.703 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -71.396309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.396309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.396309 (E_RNA) where: Base-Base interactions energy: -36.112 where: short stacking energy: -29.595 Base-Backbone interact. energy: -0.000 local terms energy: -35.284293 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -62.204733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.204733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.204733 (E_RNA) where: Base-Base interactions energy: -25.615 where: short stacking energy: -20.302 Base-Backbone interact. energy: -0.002 local terms energy: -36.587806 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -52.586199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.586199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.586199 (E_RNA) where: Base-Base interactions energy: -20.692 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.000 local terms energy: -31.894093 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -51.501474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.501474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.501474 (E_RNA) where: Base-Base interactions energy: -23.335 where: short stacking energy: -23.335 Base-Backbone interact. energy: -0.046 local terms energy: -28.120196 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -2.704 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: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -47.145751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.145751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.145751 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.000 local terms energy: -33.241953 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -46.253938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.253938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.253938 (E_RNA) where: Base-Base interactions energy: -20.135 where: short stacking energy: -20.135 Base-Backbone interact. energy: -0.001 local terms energy: -26.118622 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -41.971556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.971556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.971556 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.033 local terms energy: -31.350398 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -43.576332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.576332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.576332 (E_RNA) where: Base-Base interactions energy: -16.118 where: short stacking energy: -16.014 Base-Backbone interact. energy: -0.099 local terms energy: -27.359460 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -6.743 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -38.576308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.576308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.576308 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -11.353 Base-Backbone interact. energy: -0.068 local terms energy: -27.154970 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.342 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: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -74.431423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.431423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.431423 (E_RNA) where: Base-Base interactions energy: -36.842 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.000 local terms energy: -37.589021 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -7.729 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: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -65.180899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.180899 (E_RNA) where: Base-Base interactions energy: -29.196 where: short stacking energy: -29.196 Base-Backbone interact. energy: -0.000 local terms energy: -35.984792 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -49.292522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.292522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.292522 (E_RNA) where: Base-Base interactions energy: -19.029 where: short stacking energy: -18.471 Base-Backbone interact. energy: 0.608 local terms energy: -30.871093 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -6.520 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: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -50.165707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.165707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.165707 (E_RNA) where: Base-Base interactions energy: -16.957 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.487 local terms energy: -32.721476 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -6.327 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: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -56.624173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.624173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.624173 (E_RNA) where: Base-Base interactions energy: -23.554 where: short stacking energy: -20.721 Base-Backbone interact. energy: -0.000 local terms energy: -33.069450 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -63.366952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.366952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.366952 (E_RNA) where: Base-Base interactions energy: -27.728 where: short stacking energy: -27.728 Base-Backbone interact. energy: 0.028 local terms energy: -35.666888 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -47.393709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.393709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.393709 (E_RNA) where: Base-Base interactions energy: -15.224 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.084 local terms energy: -32.086330 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.538 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: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -42.884035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.884035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.884035 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.628 Base-Backbone interact. energy: 0.085 local terms energy: -29.341789 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -48.318778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.318778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.318778 (E_RNA) where: Base-Base interactions energy: -16.402 where: short stacking energy: -16.402 Base-Backbone interact. energy: -0.002 local terms energy: -31.913993 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -5.921 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: 10, replica: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -41.256798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.256798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.256798 (E_RNA) where: Base-Base interactions energy: -12.153 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.161 local terms energy: -28.943337 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -6.279 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: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -78.205304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.205304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.205304 (E_RNA) where: Base-Base interactions energy: -45.524 where: short stacking energy: -28.427 Base-Backbone interact. energy: -0.009 local terms energy: -32.672228 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -54.582062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.582062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.582062 (E_RNA) where: Base-Base interactions energy: -22.753 where: short stacking energy: -22.753 Base-Backbone interact. energy: -0.111 local terms energy: -31.717232 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -6.056 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: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -54.414309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.414309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.414309 (E_RNA) where: Base-Base interactions energy: -25.609 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.006 local terms energy: -28.799233 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.334 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -6.618 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: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -49.029773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.029773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.029773 (E_RNA) where: Base-Base interactions energy: -13.313 where: short stacking energy: -13.313 Base-Backbone interact. energy: -0.004 local terms energy: -35.712162 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -7.189 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: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -56.276488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276488 (E_RNA) where: Base-Base interactions energy: -23.717 where: short stacking energy: -23.717 Base-Backbone interact. energy: -0.011 local terms energy: -32.548234 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -7.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -49.217802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.217802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.217802 (E_RNA) where: Base-Base interactions energy: -22.853 where: short stacking energy: -22.853 Base-Backbone interact. energy: -0.008 local terms energy: -26.356000 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -3.226 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: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -42.782044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.782044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.782044 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.001 local terms energy: -29.623318 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -5.298 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: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -48.801251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.801251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.801251 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -16.217 Base-Backbone interact. energy: -0.019 local terms energy: -32.565177 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -45.186929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.186929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.186929 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -12.991 Base-Backbone interact. energy: 0.685 local terms energy: -29.369390 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -45.980248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.980248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.980248 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.043 local terms energy: -32.111678 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.070 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -5.493 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: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -61.501398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.501398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.501398 (E_RNA) where: Base-Base interactions energy: -28.502 where: short stacking energy: -28.502 Base-Backbone interact. energy: -0.015 local terms energy: -32.984251 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -70.734572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.734572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.734572 (E_RNA) where: Base-Base interactions energy: -39.830 where: short stacking energy: -25.900 Base-Backbone interact. energy: -0.008 local terms energy: -30.897425 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -0.959 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: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -55.219772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.219772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.219772 (E_RNA) where: Base-Base interactions energy: -21.983 where: short stacking energy: -21.983 Base-Backbone interact. energy: -0.003 local terms energy: -33.233722 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -54.687372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.687372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.687372 (E_RNA) where: Base-Base interactions energy: -24.222 where: short stacking energy: -21.474 Base-Backbone interact. energy: -0.104 local terms energy: -30.361014 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -6.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -54.637470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.637470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.637470 (E_RNA) where: Base-Base interactions energy: -23.342 where: short stacking energy: -23.342 Base-Backbone interact. energy: -0.015 local terms energy: -31.280288 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -49.958920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.958920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.958920 (E_RNA) where: Base-Base interactions energy: -20.598 where: short stacking energy: -20.515 Base-Backbone interact. energy: -0.032 local terms energy: -29.328427 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: 0.035 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: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -47.734489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.734489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.734489 (E_RNA) where: Base-Base interactions energy: -18.203 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.011 local terms energy: -29.521149 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -4.055 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: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -47.982174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.982174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.982174 (E_RNA) where: Base-Base interactions energy: -20.463 where: short stacking energy: -14.554 Base-Backbone interact. energy: -0.050 local terms energy: -27.468878 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.075 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: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -48.158694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.158694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.158694 (E_RNA) where: Base-Base interactions energy: -22.064 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.034 local terms energy: -26.060040 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -1.886 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: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -45.643764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.643764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.643764 (E_RNA) where: Base-Base interactions energy: -16.282 where: short stacking energy: -14.394 Base-Backbone interact. energy: -0.024 local terms energy: -29.337272 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -63.807797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.807797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.807797 (E_RNA) where: Base-Base interactions energy: -27.123 where: short stacking energy: -27.123 Base-Backbone interact. energy: -0.000 local terms energy: -36.684297 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -8.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -53.865961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.865961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.865961 (E_RNA) where: Base-Base interactions energy: -23.886 where: short stacking energy: -23.886 Base-Backbone interact. energy: 0.709 local terms energy: -30.689072 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.957 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -64.445484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.445484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.445484 (E_RNA) where: Base-Base interactions energy: -35.252 where: short stacking energy: -22.139 Base-Backbone interact. energy: -0.058 local terms energy: -29.135916 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -55.187350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.187350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.187350 (E_RNA) where: Base-Base interactions energy: -24.792 where: short stacking energy: -24.792 Base-Backbone interact. energy: -0.001 local terms energy: -30.393519 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -2.901 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: 207 Temperature: 1.100000 Total energy: -54.303197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.303197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.303197 (E_RNA) where: Base-Base interactions energy: -28.162 where: short stacking energy: -15.242 Base-Backbone interact. energy: -1.194 local terms energy: -24.947689 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -4.620 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -6.136 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: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -51.056818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.056818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.056818 (E_RNA) where: Base-Base interactions energy: -18.372 where: short stacking energy: -18.372 Base-Backbone interact. energy: -0.001 local terms energy: -32.683586 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -45.020886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.020886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.020886 (E_RNA) where: Base-Base interactions energy: -17.165 where: short stacking energy: -11.591 Base-Backbone interact. energy: -0.008 local terms energy: -27.847993 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -2.586 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: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -44.703103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.703103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.703103 (E_RNA) where: Base-Base interactions energy: -23.616 where: short stacking energy: -23.616 Base-Backbone interact. energy: -0.019 local terms energy: -21.068225 where: bonds (distance) C4'-P energy: -2.239 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: 0.588 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -40.247266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.247266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.247266 (E_RNA) where: Base-Base interactions energy: -14.375 where: short stacking energy: -14.375 Base-Backbone interact. energy: 0.851 local terms energy: -26.723833 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -45.809976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.809976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.809976 (E_RNA) where: Base-Base interactions energy: -21.201 where: short stacking energy: -19.307 Base-Backbone interact. energy: -0.013 local terms energy: -24.596345 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.042 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: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -64.420678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.420678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.420678 (E_RNA) where: Base-Base interactions energy: -28.463 where: short stacking energy: -28.463 Base-Backbone interact. energy: -0.001 local terms energy: -35.957169 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.068 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: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -57.931836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.931836 (E_RNA) where: Base-Base interactions energy: -24.229 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.125 local terms energy: -33.577821 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -6.241 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: 208 Temperature: 1.000000 Total energy: -52.984126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.984126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.984126 (E_RNA) where: Base-Base interactions energy: -19.843 where: short stacking energy: -19.843 Base-Backbone interact. energy: -0.000 local terms energy: -33.140932 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -4.921 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: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -60.783564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.783564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.783564 (E_RNA) where: Base-Base interactions energy: -27.286 where: short stacking energy: -27.019 Base-Backbone interact. energy: -0.038 local terms energy: -33.460225 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -7.732 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: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -51.618271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618271 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -17.371 Base-Backbone interact. energy: -0.000 local terms energy: -34.247202 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -52.854884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.854884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.854884 (E_RNA) where: Base-Base interactions energy: -20.756 where: short stacking energy: -20.756 Base-Backbone interact. energy: -0.039 local terms energy: -32.059825 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -3.090 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: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -53.658188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.658188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.658188 (E_RNA) where: Base-Base interactions energy: -31.405 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.016 local terms energy: -22.237435 where: bonds (distance) C4'-P energy: -1.933 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -0.295 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -43.335615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.335615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.335615 (E_RNA) where: Base-Base interactions energy: -16.651 where: short stacking energy: -16.651 Base-Backbone interact. energy: -0.001 local terms energy: -26.683577 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: 0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -44.268264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.268264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.268264 (E_RNA) where: Base-Base interactions energy: -15.945 where: short stacking energy: -15.945 Base-Backbone interact. energy: -0.012 local terms energy: -28.312129 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.930 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: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -44.362977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.362977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.362977 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.137 local terms energy: -28.726108 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -71.948749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.948749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.948749 (E_RNA) where: Base-Base interactions energy: -40.891 where: short stacking energy: -26.329 Base-Backbone interact. energy: -0.004 local terms energy: -31.054140 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -67.344946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.344946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.344946 (E_RNA) where: Base-Base interactions energy: -38.470 where: short stacking energy: -26.572 Base-Backbone interact. energy: -0.061 local terms energy: -28.813556 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -59.066759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.066759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.066759 (E_RNA) where: Base-Base interactions energy: -24.323 where: short stacking energy: -24.323 Base-Backbone interact. energy: -0.095 local terms energy: -34.649019 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -5.192 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: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -53.910752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.910752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.910752 (E_RNA) where: Base-Base interactions energy: -29.341 where: short stacking energy: -19.253 Base-Backbone interact. energy: -0.148 local terms energy: -24.421639 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -2.976 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -6.098 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: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -59.203932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.203932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.203932 (E_RNA) where: Base-Base interactions energy: -28.150 where: short stacking energy: -28.150 Base-Backbone interact. energy: -0.000 local terms energy: -31.053413 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -7.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -53.247458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.247458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.247458 (E_RNA) where: Base-Base interactions energy: -18.301 where: short stacking energy: -17.866 Base-Backbone interact. energy: -0.001 local terms energy: -34.945756 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -42.387974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.387974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.387974 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.393 local terms energy: -26.678608 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -43.456133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.456133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.456133 (E_RNA) where: Base-Base interactions energy: -17.602 where: short stacking energy: -17.182 Base-Backbone interact. energy: -0.256 local terms energy: -25.598402 where: bonds (distance) C4'-P energy: -6.333 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -0.673 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: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -52.699839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.699839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.699839 (E_RNA) where: Base-Base interactions energy: -19.535 where: short stacking energy: -19.036 Base-Backbone interact. energy: -0.001 local terms energy: -33.164314 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -6.347 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: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -45.915475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.915475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.915475 (E_RNA) where: Base-Base interactions energy: -20.722 where: short stacking energy: -17.614 Base-Backbone interact. energy: -0.157 local terms energy: -25.035899 where: bonds (distance) C4'-P energy: -3.619 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -75.960393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.960393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.960393 (E_RNA) where: Base-Base interactions energy: -40.804 where: short stacking energy: -33.312 Base-Backbone interact. energy: -0.001 local terms energy: -35.155316 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -10.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -65.744867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.744867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.744867 (E_RNA) where: Base-Base interactions energy: -33.560 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.034 local terms energy: -32.150891 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -5.660 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: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -67.254857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.254857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.254857 (E_RNA) where: Base-Base interactions energy: -37.807 where: short stacking energy: -20.673 Base-Backbone interact. energy: 1.129 local terms energy: -30.576074 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -5.076 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: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -52.766488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.766488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.766488 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -25.581 Base-Backbone interact. energy: -0.001 local terms energy: -27.184065 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -0.291 tors. eta vs tors. theta energy: -5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -55.493905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.493905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.493905 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.001 local terms energy: -34.987386 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -46.534391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.534391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.534391 (E_RNA) where: Base-Base interactions energy: -20.674 where: short stacking energy: -11.489 Base-Backbone interact. energy: -0.102 local terms energy: -25.758503 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -3.259 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -53.599672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.599672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.599672 (E_RNA) where: Base-Base interactions energy: -23.522 where: short stacking energy: -23.522 Base-Backbone interact. energy: -0.016 local terms energy: -30.061660 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -2.888 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: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -44.980046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.980046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.980046 (E_RNA) where: Base-Base interactions energy: -22.301 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.183 local terms energy: -22.495125 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: 0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -47.695265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.695265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.695265 (E_RNA) where: Base-Base interactions energy: -17.818 where: short stacking energy: -17.394 Base-Backbone interact. energy: -0.002 local terms energy: -29.875500 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -52.859526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.859526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.859526 (E_RNA) where: Base-Base interactions energy: -20.092 where: short stacking energy: -12.883 Base-Backbone interact. energy: -0.012 local terms energy: -32.754743 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -60.406135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.406135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.406135 (E_RNA) where: Base-Base interactions energy: -24.955 where: short stacking energy: -24.955 Base-Backbone interact. energy: -0.164 local terms energy: -35.287722 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -70.320025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.320025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.320025 (E_RNA) where: Base-Base interactions energy: -40.445 where: short stacking energy: -24.486 Base-Backbone interact. energy: -0.692 local terms energy: -29.182840 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -65.950487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.950487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.950487 (E_RNA) where: Base-Base interactions energy: -30.719 where: short stacking energy: -15.570 Base-Backbone interact. energy: -0.069 local terms energy: -35.162260 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -4.922 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -70.943525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.943525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.943525 (E_RNA) where: Base-Base interactions energy: -29.691 where: short stacking energy: -29.691 Base-Backbone interact. energy: -0.000 local terms energy: -41.252717 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -10.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -48.361534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.361534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.361534 (E_RNA) where: Base-Base interactions energy: -16.638 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.030 local terms energy: -31.693493 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -4.522 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: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -53.020689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.020689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.020689 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.000 local terms energy: -33.968823 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -50.724941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.724941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.724941 (E_RNA) where: Base-Base interactions energy: -22.679 where: short stacking energy: -21.987 Base-Backbone interact. energy: -0.001 local terms energy: -28.045162 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -1.110 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -43.492297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.492297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.492297 (E_RNA) where: Base-Base interactions energy: -15.949 where: short stacking energy: -14.131 Base-Backbone interact. energy: -0.016 local terms energy: -27.526862 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -40.718610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.718610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.718610 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.000 local terms energy: -27.787822 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -3.887 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: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -37.691836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.691836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.691836 (E_RNA) where: Base-Base interactions energy: -15.341 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.050 local terms energy: -22.300582 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -2.557 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -74.346874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.346874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.346874 (E_RNA) where: Base-Base interactions energy: -38.082 where: short stacking energy: -24.754 Base-Backbone interact. energy: -0.015 local terms energy: -36.250473 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -61.554539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.554539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.554539 (E_RNA) where: Base-Base interactions energy: -36.374 where: short stacking energy: -23.566 Base-Backbone interact. energy: 2.343 local terms energy: -27.523273 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -2.946 flat angles P-C4'-P energy: -3.646 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: 212 Temperature: 1.000000 Total energy: -60.308166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.308166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.308166 (E_RNA) where: Base-Base interactions energy: -28.174 where: short stacking energy: -17.923 Base-Backbone interact. energy: 0.587 local terms energy: -32.721122 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -4.138 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: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -53.785196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.785196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.785196 (E_RNA) where: Base-Base interactions energy: -18.753 where: short stacking energy: -18.753 Base-Backbone interact. energy: -0.116 local terms energy: -34.915918 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -5.512 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: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -45.399493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.399493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.399493 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.021 local terms energy: -26.504748 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -5.856 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: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -56.342400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.342400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.342400 (E_RNA) where: Base-Base interactions energy: -21.710 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.009 local terms energy: -34.622629 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -4.230 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: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -48.052987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.052987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.052987 (E_RNA) where: Base-Base interactions energy: -18.752 where: short stacking energy: -18.752 Base-Backbone interact. energy: -0.001 local terms energy: -29.299925 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.400 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: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -40.908105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.908105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.908105 (E_RNA) where: Base-Base interactions energy: -12.034 where: short stacking energy: -12.034 Base-Backbone interact. energy: -0.132 local terms energy: -28.741575 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -4.501 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: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -48.584032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.584032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.584032 (E_RNA) where: Base-Base interactions energy: -16.186 where: short stacking energy: -16.001 Base-Backbone interact. energy: -0.051 local terms energy: -32.346319 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -5.048 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: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -43.028758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.028758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.028758 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.011 local terms energy: -29.999295 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -1.805 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: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -78.256698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.256698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.256698 (E_RNA) where: Base-Base interactions energy: -40.205 where: short stacking energy: -27.478 Base-Backbone interact. energy: -0.029 local terms energy: -38.022974 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -8.169 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: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -60.793021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.793021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.793021 (E_RNA) where: Base-Base interactions energy: -27.629 where: short stacking energy: -24.951 Base-Backbone interact. energy: -0.000 local terms energy: -33.163570 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -7.135 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: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -59.562184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.562184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.562184 (E_RNA) where: Base-Base interactions energy: -26.091 where: short stacking energy: -13.846 Base-Backbone interact. energy: -1.426 local terms energy: -32.045050 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.720 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: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -50.780489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.780489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.780489 (E_RNA) where: Base-Base interactions energy: -22.342 where: short stacking energy: -22.342 Base-Backbone interact. energy: -0.000 local terms energy: -28.438580 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -58.678543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.678543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.678543 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -23.892 Base-Backbone interact. energy: -0.018 local terms energy: -30.643720 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.367 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: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -52.067321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067321 (E_RNA) where: Base-Base interactions energy: -19.259 where: short stacking energy: -19.259 Base-Backbone interact. energy: -0.016 local terms energy: -32.792726 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -48.123408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.123408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.123408 (E_RNA) where: Base-Base interactions energy: -23.074 where: short stacking energy: -17.014 Base-Backbone interact. energy: -0.004 local terms energy: -25.045090 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -2.250 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: 8, replica: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -44.782813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.782813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.782813 (E_RNA) where: Base-Base interactions energy: -17.914 where: short stacking energy: -17.914 Base-Backbone interact. energy: -0.135 local terms energy: -26.733651 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -38.960546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.960546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.960546 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.156 Base-Backbone interact. energy: -0.039 local terms energy: -26.233341 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -2.234 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -46.485126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.485126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.485126 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -14.982 Base-Backbone interact. energy: -0.525 local terms energy: -26.415913 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -76.473432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.473432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.473432 (E_RNA) where: Base-Base interactions energy: -44.495 where: short stacking energy: -28.359 Base-Backbone interact. energy: -0.000 local terms energy: -31.978414 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -6.367 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: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -61.129545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.129545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.129545 (E_RNA) where: Base-Base interactions energy: -26.312 where: short stacking energy: -26.312 Base-Backbone interact. energy: -0.001 local terms energy: -34.817041 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -58.311166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.311166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.311166 (E_RNA) where: Base-Base interactions energy: -23.437 where: short stacking energy: -15.872 Base-Backbone interact. energy: 0.951 local terms energy: -35.825891 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -64.847121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.847121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.847121 (E_RNA) where: Base-Base interactions energy: -33.557 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.001 local terms energy: -31.289117 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -6.127 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: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -56.627032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.627032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.627032 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.017 local terms energy: -32.099600 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -4.752 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: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -58.232239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.232239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.232239 (E_RNA) where: Base-Base interactions energy: -23.383 where: short stacking energy: -23.383 Base-Backbone interact. energy: -0.000 local terms energy: -34.848750 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -9.090 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.520 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: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -46.653013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.653013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.653013 (E_RNA) where: Base-Base interactions energy: -23.102 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.030 local terms energy: -23.520450 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: 0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -44.295731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.295731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.295731 (E_RNA) where: Base-Base interactions energy: -22.339 where: short stacking energy: -15.228 Base-Backbone interact. energy: -0.042 local terms energy: -21.915075 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -4.634 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: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -48.424329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.424329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.424329 (E_RNA) where: Base-Base interactions energy: -19.940 where: short stacking energy: -18.643 Base-Backbone interact. energy: 0.189 local terms energy: -28.674127 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -41.795292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.795292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.795292 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.018 local terms energy: -28.995297 where: bonds (distance) C4'-P energy: -7.691 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: 0.449 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: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -77.704885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.704885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.704885 (E_RNA) where: Base-Base interactions energy: -42.215 where: short stacking energy: -28.489 Base-Backbone interact. energy: -0.001 local terms energy: -35.488895 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -8.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -55.675976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.675976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.675976 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.007 local terms energy: -31.283716 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.641 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: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -55.343294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.343294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.343294 (E_RNA) where: Base-Base interactions energy: -24.604 where: short stacking energy: -24.604 Base-Backbone interact. energy: 0.424 local terms energy: -31.162924 where: bonds (distance) C4'-P energy: -7.771 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.759 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: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -68.800410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.800410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.800410 (E_RNA) where: Base-Base interactions energy: -30.315 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.000 local terms energy: -38.485861 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -10.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -53.723682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.723682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.723682 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.094 local terms energy: -30.500443 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -48.805566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.805566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.805566 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -18.760 Base-Backbone interact. energy: -0.099 local terms energy: -29.946319 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -49.607163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.607163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.607163 (E_RNA) where: Base-Base interactions energy: -22.788 where: short stacking energy: -22.788 Base-Backbone interact. energy: -0.002 local terms energy: -26.816358 where: bonds (distance) C4'-P energy: -2.383 bonds (distance) P-C4' energy: -8.099 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.528 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: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -43.941074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.941074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.941074 (E_RNA) where: Base-Base interactions energy: -17.384 where: short stacking energy: -15.764 Base-Backbone interact. energy: 1.202 local terms energy: -27.759174 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -3.068 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -44.809786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.809786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.809786 (E_RNA) where: Base-Base interactions energy: -18.218 where: short stacking energy: -9.570 Base-Backbone interact. energy: -0.115 local terms energy: -26.476615 where: bonds (distance) C4'-P energy: -2.313 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -1.766 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: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -47.935985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.935985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.935985 (E_RNA) where: Base-Base interactions energy: -21.009 where: short stacking energy: -21.009 Base-Backbone interact. energy: -0.001 local terms energy: -26.926223 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.089 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: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -62.007799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.007799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.007799 (E_RNA) where: Base-Base interactions energy: -27.667 where: short stacking energy: -23.808 Base-Backbone interact. energy: -0.001 local terms energy: -34.340015 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -3.751 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: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -61.913969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.913969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.913969 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.002 local terms energy: -35.294123 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -4.744 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: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -53.930907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.930907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.930907 (E_RNA) where: Base-Base interactions energy: -21.315 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.218 local terms energy: -32.397897 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -3.887 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: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -51.890896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.890896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.890896 (E_RNA) where: Base-Base interactions energy: -22.290 where: short stacking energy: -22.290 Base-Backbone interact. energy: -0.000 local terms energy: -29.601119 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -55.631182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.631182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.631182 (E_RNA) where: Base-Base interactions energy: -25.712 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.002 local terms energy: -29.916747 where: bonds (distance) C4'-P energy: -5.449 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -7.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -47.475125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.475125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.475125 (E_RNA) where: Base-Base interactions energy: -18.301 where: short stacking energy: -18.301 Base-Backbone interact. energy: -0.307 local terms energy: -28.867197 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -48.494923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.494923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.494923 (E_RNA) where: Base-Base interactions energy: -19.218 where: short stacking energy: -12.976 Base-Backbone interact. energy: -0.097 local terms energy: -29.179894 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -4.154 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: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -47.874495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.874495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.874495 (E_RNA) where: Base-Base interactions energy: -17.671 where: short stacking energy: -14.207 Base-Backbone interact. energy: -0.000 local terms energy: -30.202765 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -49.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.876321 (E_RNA) where: Base-Base interactions energy: -17.985 where: short stacking energy: -17.985 Base-Backbone interact. energy: -0.042 local terms energy: -31.849269 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.963 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: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -40.162523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.162523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.162523 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -13.319 Base-Backbone interact. energy: 0.748 local terms energy: -26.747862 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -61.519557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.519557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.519557 (E_RNA) where: Base-Base interactions energy: -24.190 where: short stacking energy: -24.190 Base-Backbone interact. energy: -0.059 local terms energy: -37.269782 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -61.132575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.132575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.132575 (E_RNA) where: Base-Base interactions energy: -26.510 where: short stacking energy: -26.510 Base-Backbone interact. energy: -0.000 local terms energy: -34.622310 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -62.572102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.572102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.572102 (E_RNA) where: Base-Base interactions energy: -27.742 where: short stacking energy: -27.742 Base-Backbone interact. energy: -0.003 local terms energy: -34.827820 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -58.586914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.586914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.586914 (E_RNA) where: Base-Base interactions energy: -26.467 where: short stacking energy: -26.467 Base-Backbone interact. energy: -0.000 local terms energy: -32.119981 where: bonds (distance) C4'-P energy: -4.995 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -52.335638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.335638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.335638 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -24.042 Base-Backbone interact. energy: -0.017 local terms energy: -28.277388 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.745 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: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -45.125646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.125646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.125646 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.082 local terms energy: -22.219978 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: 2.448 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: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -48.796559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.796559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.796559 (E_RNA) where: Base-Base interactions energy: -17.325 where: short stacking energy: -17.325 Base-Backbone interact. energy: -0.019 local terms energy: -31.452926 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -46.720647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.720647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.720647 (E_RNA) where: Base-Base interactions energy: -19.435 where: short stacking energy: -19.435 Base-Backbone interact. energy: -0.058 local terms energy: -27.227087 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -5.514 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -45.519910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.519910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.519910 (E_RNA) where: Base-Base interactions energy: -22.645 where: short stacking energy: -22.645 Base-Backbone interact. energy: -0.001 local terms energy: -22.874344 where: bonds (distance) C4'-P energy: -4.898 bonds (distance) P-C4' energy: -0.247 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -49.151009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.151009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.151009 (E_RNA) where: Base-Base interactions energy: -20.099 where: short stacking energy: -20.099 Base-Backbone interact. energy: 0.216 local terms energy: -29.268728 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -0.535 tors. eta vs tors. theta energy: -9.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -60.959066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.959066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.959066 (E_RNA) where: Base-Base interactions energy: -25.568 where: short stacking energy: -23.313 Base-Backbone interact. energy: -0.004 local terms energy: -35.386319 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -58.019821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.019821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.019821 (E_RNA) where: Base-Base interactions energy: -29.210 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.024 local terms energy: -28.785472 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -5.083 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: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -50.374906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.374906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.374906 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -17.775 Base-Backbone interact. energy: -0.188 local terms energy: -25.654312 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -50.320041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.320041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.320041 (E_RNA) where: Base-Base interactions energy: -17.048 where: short stacking energy: -17.048 Base-Backbone interact. energy: -0.001 local terms energy: -33.271171 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -61.506152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.506152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.506152 (E_RNA) where: Base-Base interactions energy: -27.415 where: short stacking energy: -27.415 Base-Backbone interact. energy: -0.000 local terms energy: -34.091189 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -7.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -47.964001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.964001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.964001 (E_RNA) where: Base-Base interactions energy: -18.245 where: short stacking energy: -18.245 Base-Backbone interact. energy: -0.014 local terms energy: -29.705246 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.826 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: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -48.708373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.708373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.708373 (E_RNA) where: Base-Base interactions energy: -19.440 where: short stacking energy: -19.440 Base-Backbone interact. energy: -0.000 local terms energy: -29.268354 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.271 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: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -48.151563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.151563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.151563 (E_RNA) where: Base-Base interactions energy: -19.830 where: short stacking energy: -19.830 Base-Backbone interact. energy: -0.044 local terms energy: -28.277521 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -44.202435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.202435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.202435 (E_RNA) where: Base-Base interactions energy: -15.606 where: short stacking energy: -14.483 Base-Backbone interact. energy: -0.774 local terms energy: -27.822760 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -46.383048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.383048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.383048 (E_RNA) where: Base-Base interactions energy: -15.212 where: short stacking energy: -10.709 Base-Backbone interact. energy: 0.186 local terms energy: -31.357063 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -5.308 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: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -55.949706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.949706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.949706 (E_RNA) where: Base-Base interactions energy: -24.570 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.001 local terms energy: -31.378758 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -73.707309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.707309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.707309 (E_RNA) where: Base-Base interactions energy: -40.094 where: short stacking energy: -20.736 Base-Backbone interact. energy: -0.014 local terms energy: -33.599266 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -50.471082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.471082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.471082 (E_RNA) where: Base-Base interactions energy: -21.114 where: short stacking energy: -21.112 Base-Backbone interact. energy: -0.001 local terms energy: -29.356868 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -3.161 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: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -62.088015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.088015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.088015 (E_RNA) where: Base-Base interactions energy: -24.469 where: short stacking energy: -24.469 Base-Backbone interact. energy: -0.000 local terms energy: -37.618570 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -9.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -50.306741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.306741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.306741 (E_RNA) where: Base-Base interactions energy: -20.160 where: short stacking energy: -20.160 Base-Backbone interact. energy: -0.004 local terms energy: -30.142849 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -52.655318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.655318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.655318 (E_RNA) where: Base-Base interactions energy: -25.134 where: short stacking energy: -24.031 Base-Backbone interact. energy: -0.070 local terms energy: -27.451173 where: bonds (distance) C4'-P energy: -2.893 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -42.458964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.458964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.458964 (E_RNA) where: Base-Base interactions energy: -17.612 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.007 local terms energy: -24.839664 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -43.164198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.164198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.164198 (E_RNA) where: Base-Base interactions energy: -14.335 where: short stacking energy: -14.335 Base-Backbone interact. energy: -0.069 local terms energy: -28.759693 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -4.615 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: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -43.835939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835939 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.000 local terms energy: -28.770912 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -39.256866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.256866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.256866 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.086 local terms energy: -24.461160 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.267 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: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -69.282026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.282026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.282026 (E_RNA) where: Base-Base interactions energy: -31.852 where: short stacking energy: -31.263 Base-Backbone interact. energy: -0.000 local terms energy: -37.430403 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -68.881484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.881484 (E_RNA) where: Base-Base interactions energy: -35.263 where: short stacking energy: -23.912 Base-Backbone interact. energy: -0.023 local terms energy: -33.595703 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -56.235601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.235601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.235601 (E_RNA) where: Base-Base interactions energy: -23.480 where: short stacking energy: -23.031 Base-Backbone interact. energy: -0.000 local terms energy: -32.755020 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -53.455854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.455854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.455854 (E_RNA) where: Base-Base interactions energy: -23.711 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.079 local terms energy: -29.665596 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -49.019372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.019372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.019372 (E_RNA) where: Base-Base interactions energy: -16.331 where: short stacking energy: -16.331 Base-Backbone interact. energy: -0.102 local terms energy: -32.586605 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -4.748 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: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -49.495843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.495843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.495843 (E_RNA) where: Base-Base interactions energy: -21.316 where: short stacking energy: -20.156 Base-Backbone interact. energy: -0.003 local terms energy: -28.176810 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -2.688 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: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -38.856210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.856210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.856210 (E_RNA) where: Base-Base interactions energy: -10.414 where: short stacking energy: -10.414 Base-Backbone interact. energy: -0.066 local terms energy: -28.376396 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -6.631 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: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -41.092302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.092302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.092302 (E_RNA) where: Base-Base interactions energy: -17.090 where: short stacking energy: -15.430 Base-Backbone interact. energy: 2.393 local terms energy: -26.395448 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -43.557290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.557290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.557290 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.890 Base-Backbone interact. energy: -0.064 local terms energy: -29.603781 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.927 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: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -41.671253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.671253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.671253 (E_RNA) where: Base-Base interactions energy: -12.092 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.177 local terms energy: -29.401852 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -80.217496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.217496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.217496 (E_RNA) where: Base-Base interactions energy: -39.527 where: short stacking energy: -23.669 Base-Backbone interact. energy: -3.058 local terms energy: -37.632523 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -62.078919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.078919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.078919 (E_RNA) where: Base-Base interactions energy: -31.231 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.000 local terms energy: -30.847124 where: bonds (distance) C4'-P energy: -7.291 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -57.610049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.610049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.610049 (E_RNA) where: Base-Base interactions energy: -27.042 where: short stacking energy: -27.042 Base-Backbone interact. energy: -0.000 local terms energy: -30.567687 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -57.969447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.969447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.969447 (E_RNA) where: Base-Base interactions energy: -29.735 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.257 local terms energy: -27.977840 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -50.497976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.497976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.497976 (E_RNA) where: Base-Base interactions energy: -17.755 where: short stacking energy: -17.755 Base-Backbone interact. energy: -0.001 local terms energy: -32.742421 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -47.047124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.047124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.047124 (E_RNA) where: Base-Base interactions energy: -18.428 where: short stacking energy: -18.428 Base-Backbone interact. energy: -0.007 local terms energy: -28.611989 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -9.318 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -45.915047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.915047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.915047 (E_RNA) where: Base-Base interactions energy: -14.533 where: short stacking energy: -14.533 Base-Backbone interact. energy: -0.000 local terms energy: -31.382484 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -6.168 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: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -46.275455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.275455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.275455 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.093 local terms energy: -31.842947 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -5.207 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: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -40.645405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.645405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.645405 (E_RNA) where: Base-Base interactions energy: -17.528 where: short stacking energy: -9.532 Base-Backbone interact. energy: -0.119 local terms energy: -22.997963 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: 1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -41.304500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.304500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.304500 (E_RNA) where: Base-Base interactions energy: -13.727 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.074 local terms energy: -27.503702 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -3.977 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: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -81.129709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.129709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.129709 (E_RNA) where: Base-Base interactions energy: -46.574 where: short stacking energy: -28.334 Base-Backbone interact. energy: -0.000 local terms energy: -34.555505 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -8.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -61.196931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.196931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.196931 (E_RNA) where: Base-Base interactions energy: -25.667 where: short stacking energy: -25.667 Base-Backbone interact. energy: -0.000 local terms energy: -35.529162 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -64.184294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.184294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.184294 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -17.907 Base-Backbone interact. energy: -0.005 local terms energy: -32.447446 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -65.778641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.778641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.778641 (E_RNA) where: Base-Base interactions energy: -26.823 where: short stacking energy: -26.823 Base-Backbone interact. energy: -0.007 local terms energy: -38.948216 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -63.300831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.300831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.300831 (E_RNA) where: Base-Base interactions energy: -31.435 where: short stacking energy: -18.528 Base-Backbone interact. energy: 0.060 local terms energy: -31.925882 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -6.398 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: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -42.320266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.320266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.320266 (E_RNA) where: Base-Base interactions energy: -13.464 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.124 local terms energy: -28.731358 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -2.898 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: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -55.760686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.760686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.760686 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.002 local terms energy: -30.242233 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -2.859 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: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -47.003097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.003097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.003097 (E_RNA) where: Base-Base interactions energy: -19.778 where: short stacking energy: -18.902 Base-Backbone interact. energy: 1.435 local terms energy: -28.660372 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.340 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: 222 Temperature: 1.300000 Total energy: -44.661090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.661090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.661090 (E_RNA) where: Base-Base interactions energy: -20.737 where: short stacking energy: -20.737 Base-Backbone interact. energy: -0.171 local terms energy: -23.753030 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.920 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -49.966864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.966864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.966864 (E_RNA) where: Base-Base interactions energy: -19.738 where: short stacking energy: -19.738 Base-Backbone interact. energy: -0.100 local terms energy: -30.128465 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -9.292 flat angles P-C4'-P energy: -0.816 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: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -59.888894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.888894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.888894 (E_RNA) where: Base-Base interactions energy: -25.735 where: short stacking energy: -25.735 Base-Backbone interact. energy: -0.003 local terms energy: -34.151072 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -69.973179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.973179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.973179 (E_RNA) where: Base-Base interactions energy: -40.894 where: short stacking energy: -22.661 Base-Backbone interact. energy: -0.126 local terms energy: -28.953990 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: -7.180 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: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -64.490508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.490508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.490508 (E_RNA) where: Base-Base interactions energy: -30.141 where: short stacking energy: -30.141 Base-Backbone interact. energy: -0.000 local terms energy: -34.349689 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -9.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -52.176371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.176371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.176371 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.318 local terms energy: -31.515903 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.606 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: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -51.287876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.287876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.287876 (E_RNA) where: Base-Base interactions energy: -20.225 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.006 local terms energy: -31.057405 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -2.478 flat angles P-C4'-P energy: -4.843 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: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -47.061628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.061628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.061628 (E_RNA) where: Base-Base interactions energy: -22.636 where: short stacking energy: -22.636 Base-Backbone interact. energy: -0.002 local terms energy: -24.423126 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -0.451 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -4.887 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: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -48.619311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.619311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.619311 (E_RNA) where: Base-Base interactions energy: -19.765 where: short stacking energy: -19.765 Base-Backbone interact. energy: -0.006 local terms energy: -28.847715 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -54.592445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.592445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.592445 (E_RNA) where: Base-Base interactions energy: -20.632 where: short stacking energy: -20.632 Base-Backbone interact. energy: -0.000 local terms energy: -33.960157 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -50.633240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.633240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.633240 (E_RNA) where: Base-Base interactions energy: -21.012 where: short stacking energy: -21.012 Base-Backbone interact. energy: -0.010 local terms energy: -29.611569 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -1.248 tors. eta vs tors. theta energy: -6.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -41.123791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.123791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.123791 (E_RNA) where: Base-Base interactions energy: -20.730 where: short stacking energy: -16.230 Base-Backbone interact. energy: -0.092 local terms energy: -20.301402 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -78.301295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.301295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.301295 (E_RNA) where: Base-Base interactions energy: -41.323 where: short stacking energy: -26.656 Base-Backbone interact. energy: -0.004 local terms energy: -36.973681 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -55.627539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.627539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.627539 (E_RNA) where: Base-Base interactions energy: -25.043 where: short stacking energy: -21.871 Base-Backbone interact. energy: -0.008 local terms energy: -30.576774 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -60.458398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.458398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.458398 (E_RNA) where: Base-Base interactions energy: -22.479 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.000 local terms energy: -37.979318 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -8.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -58.101402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.101402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.101402 (E_RNA) where: Base-Base interactions energy: -25.092 where: short stacking energy: -24.909 Base-Backbone interact. energy: -0.014 local terms energy: -32.995186 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -6.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -57.738980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.738980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.738980 (E_RNA) where: Base-Base interactions energy: -24.313 where: short stacking energy: -24.313 Base-Backbone interact. energy: -0.000 local terms energy: -33.425980 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -2.839 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: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -51.646639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.646639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.646639 (E_RNA) where: Base-Base interactions energy: -18.406 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.003 local terms energy: -33.236907 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -6.488 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: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -52.461692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.461692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.461692 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.000 local terms energy: -34.203292 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -47.739359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.739359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.739359 (E_RNA) where: Base-Base interactions energy: -17.990 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.001 local terms energy: -29.748228 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.724 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: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -43.272483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.272483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.272483 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -13.945 Base-Backbone interact. energy: -0.005 local terms energy: -25.842673 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -2.083 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -41.308910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.308910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.308910 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.087 local terms energy: -23.945269 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -2.595 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: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -76.277487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.277487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.277487 (E_RNA) where: Base-Base interactions energy: -46.563 where: short stacking energy: -28.581 Base-Backbone interact. energy: -0.015 local terms energy: -29.699374 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -65.290429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.290429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.290429 (E_RNA) where: Base-Base interactions energy: -27.991 where: short stacking energy: -27.991 Base-Backbone interact. energy: -0.003 local terms energy: -37.296392 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -57.512583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.512583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.512583 (E_RNA) where: Base-Base interactions energy: -27.234 where: short stacking energy: -22.370 Base-Backbone interact. energy: -0.042 local terms energy: -30.237175 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -56.178178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.178178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.178178 (E_RNA) where: Base-Base interactions energy: -21.299 where: short stacking energy: -21.299 Base-Backbone interact. energy: -0.000 local terms energy: -34.878801 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -6.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -51.399666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.399666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.399666 (E_RNA) where: Base-Base interactions energy: -21.530 where: short stacking energy: -21.530 Base-Backbone interact. energy: -0.006 local terms energy: -29.862858 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -1.978 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -47.736828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.736828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.736828 (E_RNA) where: Base-Base interactions energy: -18.564 where: short stacking energy: -18.098 Base-Backbone interact. energy: -0.030 local terms energy: -29.142874 where: bonds (distance) C4'-P energy: -6.279 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -6.657 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: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -45.711612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.711612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.711612 (E_RNA) where: Base-Base interactions energy: -14.925 where: short stacking energy: -14.925 Base-Backbone interact. energy: -0.001 local terms energy: -30.785703 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -7.299 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: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -48.079062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.079062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.079062 (E_RNA) where: Base-Base interactions energy: -15.746 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.002 local terms energy: -32.330917 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -41.608160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.608160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.608160 (E_RNA) where: Base-Base interactions energy: -20.259 where: short stacking energy: -8.987 Base-Backbone interact. energy: -0.605 local terms energy: -20.744713 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: 1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -39.998337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.998337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.998337 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.152 local terms energy: -30.212070 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -78.578461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.578461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.578461 (E_RNA) where: Base-Base interactions energy: -47.854 where: short stacking energy: -28.747 Base-Backbone interact. energy: 0.077 local terms energy: -30.800824 where: bonds (distance) C4'-P energy: -4.455 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -69.691193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.691193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.691193 (E_RNA) where: Base-Base interactions energy: -36.234 where: short stacking energy: -25.955 Base-Backbone interact. energy: -0.034 local terms energy: -33.423264 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -59.521444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.521444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.521444 (E_RNA) where: Base-Base interactions energy: -25.452 where: short stacking energy: -21.383 Base-Backbone interact. energy: -0.000 local terms energy: -34.068938 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.976 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -54.867768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.867768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.867768 (E_RNA) where: Base-Base interactions energy: -25.144 where: short stacking energy: -25.144 Base-Backbone interact. energy: -0.005 local terms energy: -29.718738 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -5.444 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -51.200226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.200226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.200226 (E_RNA) where: Base-Base interactions energy: -20.175 where: short stacking energy: -19.833 Base-Backbone interact. energy: -0.001 local terms energy: -31.024043 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -49.500572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.500572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.500572 (E_RNA) where: Base-Base interactions energy: -21.485 where: short stacking energy: -21.485 Base-Backbone interact. energy: -0.011 local terms energy: -28.004854 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -0.256 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: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -47.536253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.536253 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.209 Base-Backbone interact. energy: -0.000 local terms energy: -29.043824 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -38.875537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875537 (E_RNA) where: Base-Base interactions energy: -11.751 where: short stacking energy: -11.751 Base-Backbone interact. energy: -0.121 local terms energy: -27.004073 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -0.906 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: 226 Temperature: 1.300000 Total energy: -43.434354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.434354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.434354 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -14.993 Base-Backbone interact. energy: -0.001 local terms energy: -26.917752 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -4.510 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -40.718839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.718839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.718839 (E_RNA) where: Base-Base interactions energy: -13.421 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.193 local terms energy: -27.104362 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -73.070897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.070897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.070897 (E_RNA) where: Base-Base interactions energy: -39.702 where: short stacking energy: -27.502 Base-Backbone interact. energy: -0.000 local terms energy: -33.369165 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -78.624173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.624173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.624173 (E_RNA) where: Base-Base interactions energy: -46.276 where: short stacking energy: -26.406 Base-Backbone interact. energy: 0.427 local terms energy: -32.775544 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -55.453957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.453957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.453957 (E_RNA) where: Base-Base interactions energy: -28.549 where: short stacking energy: -19.394 Base-Backbone interact. energy: 0.518 local terms energy: -27.423640 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -50.969038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.969038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.969038 (E_RNA) where: Base-Base interactions energy: -19.336 where: short stacking energy: -19.336 Base-Backbone interact. energy: -0.004 local terms energy: -31.628693 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.281 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: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -54.822693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.822693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.822693 (E_RNA) where: Base-Base interactions energy: -19.795 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.091 local terms energy: -34.936021 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -50.797927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.797927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.797927 (E_RNA) where: Base-Base interactions energy: -18.765 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.008 local terms energy: -32.025342 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -5.835 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: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -47.359944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.359944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.359944 (E_RNA) where: Base-Base interactions energy: -19.167 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.005 local terms energy: -28.188819 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -2.483 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: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -52.648694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.648694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.648694 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.091 local terms energy: -29.164668 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.301 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: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -40.819818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.819818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.819818 (E_RNA) where: Base-Base interactions energy: -16.301 where: short stacking energy: -16.301 Base-Backbone interact. energy: -0.076 local terms energy: -24.442304 where: bonds (distance) C4'-P energy: -1.863 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -47.287160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.287160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.287160 (E_RNA) where: Base-Base interactions energy: -22.782 where: short stacking energy: -16.872 Base-Backbone interact. energy: -0.607 local terms energy: -23.898926 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -76.518401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.518401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.518401 (E_RNA) where: Base-Base interactions energy: -38.879 where: short stacking energy: -25.158 Base-Backbone interact. energy: -0.000 local terms energy: -37.638815 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -86.417046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.417046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.417046 (E_RNA) where: Base-Base interactions energy: -50.594 where: short stacking energy: -24.125 Base-Backbone interact. energy: -0.003 local terms energy: -35.819920 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -6.385 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: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -62.612414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.612414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.612414 (E_RNA) where: Base-Base interactions energy: -26.884 where: short stacking energy: -22.546 Base-Backbone interact. energy: -1.018 local terms energy: -34.710354 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -54.569450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.569450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.569450 (E_RNA) where: Base-Base interactions energy: -20.383 where: short stacking energy: -19.878 Base-Backbone interact. energy: -0.014 local terms energy: -34.172961 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -54.880701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.880701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.880701 (E_RNA) where: Base-Base interactions energy: -18.928 where: short stacking energy: -18.928 Base-Backbone interact. energy: -0.001 local terms energy: -35.952418 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -47.941094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.941094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.941094 (E_RNA) where: Base-Base interactions energy: -19.243 where: short stacking energy: -19.243 Base-Backbone interact. energy: -0.016 local terms energy: -28.682188 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -2.248 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -48.928084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.928084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.928084 (E_RNA) where: Base-Base interactions energy: -18.108 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.018 local terms energy: -30.802445 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -45.419048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.419048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.419048 (E_RNA) where: Base-Base interactions energy: -17.438 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.030 local terms energy: -27.950454 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -41.004032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.004032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.004032 (E_RNA) where: Base-Base interactions energy: -10.371 where: short stacking energy: -10.371 Base-Backbone interact. energy: -0.132 local terms energy: -30.500554 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -55.806856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.806856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.806856 (E_RNA) where: Base-Base interactions energy: -20.060 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.000 local terms energy: -35.747071 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -10.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -82.685223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.685223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.685223 (E_RNA) where: Base-Base interactions energy: -45.818 where: short stacking energy: -29.370 Base-Backbone interact. energy: 0.065 local terms energy: -36.931964 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -63.616755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.616755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.616755 (E_RNA) where: Base-Base interactions energy: -25.575 where: short stacking energy: -25.575 Base-Backbone interact. energy: -0.088 local terms energy: -37.953402 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -79.092411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.092411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.092411 (E_RNA) where: Base-Base interactions energy: -43.942 where: short stacking energy: -29.927 Base-Backbone interact. energy: -0.147 local terms energy: -35.003482 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -64.205023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.205023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.205023 (E_RNA) where: Base-Base interactions energy: -24.524 where: short stacking energy: -24.524 Base-Backbone interact. energy: -0.000 local terms energy: -39.681371 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -52.610103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.610103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.610103 (E_RNA) where: Base-Base interactions energy: -23.952 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.003 local terms energy: -28.654918 where: bonds (distance) C4'-P energy: -5.206 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -46.076798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.076798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.076798 (E_RNA) where: Base-Base interactions energy: -17.423 where: short stacking energy: -17.423 Base-Backbone interact. energy: -0.710 local terms energy: -27.943347 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -42.876428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.876428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.876428 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -16.399 Base-Backbone interact. energy: -0.019 local terms energy: -26.458627 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -44.161264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.161264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.161264 (E_RNA) where: Base-Base interactions energy: -18.455 where: short stacking energy: -17.900 Base-Backbone interact. energy: -0.099 local terms energy: -25.607210 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -2.470 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: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -40.435591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.435591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.435591 (E_RNA) where: Base-Base interactions energy: -11.346 where: short stacking energy: -11.346 Base-Backbone interact. energy: -0.085 local terms energy: -29.004713 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -3.653 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: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -50.065819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.065819 (E_RNA) where: Base-Base interactions energy: -20.228 where: short stacking energy: -20.228 Base-Backbone interact. energy: -0.031 local terms energy: -29.806549 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -2.563 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: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -82.697046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.697046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.697046 (E_RNA) where: Base-Base interactions energy: -47.919 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.000 local terms energy: -34.777220 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -66.519398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.519398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.519398 (E_RNA) where: Base-Base interactions energy: -34.238 where: short stacking energy: -19.303 Base-Backbone interact. energy: -0.018 local terms energy: -32.263309 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -4.600 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: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -67.833734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.833734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.833734 (E_RNA) where: Base-Base interactions energy: -37.374 where: short stacking energy: -24.360 Base-Backbone interact. energy: -0.000 local terms energy: -30.459676 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -52.011747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.011747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.011747 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -19.635 Base-Backbone interact. energy: -0.011 local terms energy: -32.365717 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -51.738947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.738947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.738947 (E_RNA) where: Base-Base interactions energy: -19.742 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.003 local terms energy: -31.993831 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -53.533837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.533837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.533837 (E_RNA) where: Base-Base interactions energy: -23.164 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.001 local terms energy: -30.369122 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.694 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: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -50.847138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.847138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.847138 (E_RNA) where: Base-Base interactions energy: -23.184 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.012 local terms energy: -27.651439 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -41.501388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.501388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.501388 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.015 local terms energy: -32.960200 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.886 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: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -40.130719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.130719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.130719 (E_RNA) where: Base-Base interactions energy: -18.260 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.005 local terms energy: -21.865880 where: bonds (distance) C4'-P energy: -6.768 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.031 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) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -39.469050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.469050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.469050 (E_RNA) where: Base-Base interactions energy: -15.604 where: short stacking energy: -14.817 Base-Backbone interact. energy: -0.029 local terms energy: -23.836836 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.406 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -76.095803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.095803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.095803 (E_RNA) where: Base-Base interactions energy: -40.448 where: short stacking energy: -28.172 Base-Backbone interact. energy: -0.002 local terms energy: -35.645950 where: bonds (distance) C4'-P energy: -3.043 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -7.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -70.077416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.077416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.077416 (E_RNA) where: Base-Base interactions energy: -36.250 where: short stacking energy: -26.281 Base-Backbone interact. energy: -0.003 local terms energy: -33.824826 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -4.682 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: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -55.624693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.624693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.624693 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -19.624 Base-Backbone interact. energy: -0.020 local terms energy: -31.086953 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -45.494114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.494114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.494114 (E_RNA) where: Base-Base interactions energy: -15.629 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.088 local terms energy: -29.777084 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -3.677 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: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -50.013598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.013598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.013598 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.000 local terms energy: -29.417919 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -2.712 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: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -47.050227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.050227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.050227 (E_RNA) where: Base-Base interactions energy: -23.544 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.101 local terms energy: -23.405683 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -66.128773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.128773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.128773 (E_RNA) where: Base-Base interactions energy: -31.007 where: short stacking energy: -31.007 Base-Backbone interact. energy: -0.000 local terms energy: -35.122122 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -8.538 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: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -46.272127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.272127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.272127 (E_RNA) where: Base-Base interactions energy: -19.511 where: short stacking energy: -19.511 Base-Backbone interact. energy: -0.001 local terms energy: -26.759291 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -1.153 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -54.496484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.496484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.496484 (E_RNA) where: Base-Base interactions energy: -21.882 where: short stacking energy: -21.882 Base-Backbone interact. energy: -0.010 local terms energy: -32.604551 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -7.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -42.021709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.021709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.021709 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.092 local terms energy: -27.013208 where: bonds (distance) C4'-P energy: -4.633 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -3.687 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: 232 Temperature: 0.900000 Total energy: -72.106569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.106569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.106569 (E_RNA) where: Base-Base interactions energy: -31.502 where: short stacking energy: -31.469 Base-Backbone interact. energy: -0.000 local terms energy: -40.604074 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -61.553818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.553818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.553818 (E_RNA) where: Base-Base interactions energy: -26.367 where: short stacking energy: -26.367 Base-Backbone interact. energy: -0.007 local terms energy: -35.180410 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -52.106087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.106087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.106087 (E_RNA) where: Base-Base interactions energy: -21.648 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.056 local terms energy: -30.402131 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.416 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.378 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: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -51.439890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.439890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.439890 (E_RNA) where: Base-Base interactions energy: -17.175 where: short stacking energy: -17.106 Base-Backbone interact. energy: -0.041 local terms energy: -34.223774 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -50.794887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.794887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.794887 (E_RNA) where: Base-Base interactions energy: -19.187 where: short stacking energy: -19.187 Base-Backbone interact. energy: -0.000 local terms energy: -31.607827 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -53.174714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.174714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.174714 (E_RNA) where: Base-Base interactions energy: -23.908 where: short stacking energy: -23.908 Base-Backbone interact. energy: -0.031 local terms energy: -29.235916 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -5.667 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -5.593 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: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -55.595929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.595929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.595929 (E_RNA) where: Base-Base interactions energy: -26.632 where: short stacking energy: -26.632 Base-Backbone interact. energy: -0.022 local terms energy: -28.941340 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -8.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -48.908633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.908633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.908633 (E_RNA) where: Base-Base interactions energy: -16.788 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.084 local terms energy: -32.036979 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.611 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: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -41.525200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.525200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.525200 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.002 local terms energy: -26.785948 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.583 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: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -49.022845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.022845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.022845 (E_RNA) where: Base-Base interactions energy: -16.755 where: short stacking energy: -16.755 Base-Backbone interact. energy: -0.091 local terms energy: -32.176783 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.386 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -63.714981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.714981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.714981 (E_RNA) where: Base-Base interactions energy: -29.023 where: short stacking energy: -27.014 Base-Backbone interact. energy: -0.079 local terms energy: -34.612933 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -8.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -73.021823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.021823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.021823 (E_RNA) where: Base-Base interactions energy: -32.350 where: short stacking energy: -22.368 Base-Backbone interact. energy: -0.399 local terms energy: -40.273170 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -8.473 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: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -56.932888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.932888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.932888 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.013 local terms energy: -27.945287 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -4.908 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: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -60.136280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.136280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.136280 (E_RNA) where: Base-Base interactions energy: -22.987 where: short stacking energy: -22.987 Base-Backbone interact. energy: -0.000 local terms energy: -37.149297 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -7.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -55.100271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.100271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.100271 (E_RNA) where: Base-Base interactions energy: -22.926 where: short stacking energy: -19.616 Base-Backbone interact. energy: -0.004 local terms energy: -32.170216 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -52.551482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.551482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.551482 (E_RNA) where: Base-Base interactions energy: -26.011 where: short stacking energy: -26.011 Base-Backbone interact. energy: -0.005 local terms energy: -26.535601 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -47.668997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.668997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.668997 (E_RNA) where: Base-Base interactions energy: -20.806 where: short stacking energy: -20.806 Base-Backbone interact. energy: 1.243 local terms energy: -28.106398 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -46.248450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.248450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.248450 (E_RNA) where: Base-Base interactions energy: -16.920 where: short stacking energy: -16.920 Base-Backbone interact. energy: -0.097 local terms energy: -29.230695 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -4.065 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: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -44.866685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.866685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.866685 (E_RNA) where: Base-Base interactions energy: -20.883 where: short stacking energy: -20.883 Base-Backbone interact. energy: -0.001 local terms energy: -23.983375 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -48.495903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.495903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.495903 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.036 local terms energy: -27.391688 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -66.642964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.642964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.642964 (E_RNA) where: Base-Base interactions energy: -28.554 where: short stacking energy: -28.554 Base-Backbone interact. energy: -0.002 local terms energy: -38.087300 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -61.093262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.093262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.093262 (E_RNA) where: Base-Base interactions energy: -30.677 where: short stacking energy: -28.573 Base-Backbone interact. energy: -0.018 local terms energy: -30.397823 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -59.173607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.173607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.173607 (E_RNA) where: Base-Base interactions energy: -26.444 where: short stacking energy: -26.444 Base-Backbone interact. energy: -0.065 local terms energy: -32.663901 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -56.887558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.887558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.887558 (E_RNA) where: Base-Base interactions energy: -22.861 where: short stacking energy: -22.861 Base-Backbone interact. energy: -0.092 local terms energy: -33.934662 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -6.652 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: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -57.380434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.380434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.380434 (E_RNA) where: Base-Base interactions energy: -25.280 where: short stacking energy: -23.638 Base-Backbone interact. energy: -0.000 local terms energy: -32.099837 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.388 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: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -50.111743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.111743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.111743 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.002 local terms energy: -30.618038 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.188 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: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -44.385392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.385392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.385392 (E_RNA) where: Base-Base interactions energy: -18.969 where: short stacking energy: -18.969 Base-Backbone interact. energy: 1.287 local terms energy: -26.702848 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -48.487599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.487599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.487599 (E_RNA) where: Base-Base interactions energy: -19.312 where: short stacking energy: -19.312 Base-Backbone interact. energy: -0.000 local terms energy: -29.174997 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -7.423 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -45.427659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.427659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.427659 (E_RNA) where: Base-Base interactions energy: -18.563 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.002 local terms energy: -26.862548 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.106 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: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -48.220343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.220343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.220343 (E_RNA) where: Base-Base interactions energy: -18.087 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.006 local terms energy: -30.127853 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -3.887 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: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -68.333876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.333876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.333876 (E_RNA) where: Base-Base interactions energy: -28.814 where: short stacking energy: -28.814 Base-Backbone interact. energy: -0.000 local terms energy: -39.519873 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -8.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -58.937536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.937536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.937536 (E_RNA) where: Base-Base interactions energy: -23.378 where: short stacking energy: -23.378 Base-Backbone interact. energy: -0.007 local terms energy: -35.553166 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -61.407083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.407083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.407083 (E_RNA) where: Base-Base interactions energy: -29.419 where: short stacking energy: -16.066 Base-Backbone interact. energy: -0.195 local terms energy: -31.793130 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -61.389288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.389288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.389288 (E_RNA) where: Base-Base interactions energy: -26.421 where: short stacking energy: -15.318 Base-Backbone interact. energy: -0.026 local terms energy: -34.941752 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.778 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -62.102865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.102865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.102865 (E_RNA) where: Base-Base interactions energy: -28.470 where: short stacking energy: -25.214 Base-Backbone interact. energy: -0.882 local terms energy: -32.750805 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -45.132496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.132496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.132496 (E_RNA) where: Base-Base interactions energy: -19.346 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.036 local terms energy: -25.749893 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.528 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -59.307121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.307121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.307121 (E_RNA) where: Base-Base interactions energy: -24.595 where: short stacking energy: -22.920 Base-Backbone interact. energy: -0.036 local terms energy: -34.676267 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -43.225408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.225408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.225408 (E_RNA) where: Base-Base interactions energy: -14.902 where: short stacking energy: -10.343 Base-Backbone interact. energy: 0.650 local terms energy: -28.973695 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -3.060 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: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -41.148176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148176 (E_RNA) where: Base-Base interactions energy: -17.488 where: short stacking energy: -17.488 Base-Backbone interact. energy: -0.003 local terms energy: -23.657195 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -2.051 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: 10, replica: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -44.813499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.813499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.813499 (E_RNA) where: Base-Base interactions energy: -23.676 where: short stacking energy: -15.437 Base-Backbone interact. energy: -0.022 local terms energy: -21.114699 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -1.084 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: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -60.935081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.935081 (E_RNA) where: Base-Base interactions energy: -25.426 where: short stacking energy: -25.426 Base-Backbone interact. energy: -0.000 local terms energy: -35.508335 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -6.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -73.948804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.948804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.948804 (E_RNA) where: Base-Base interactions energy: -33.059 where: short stacking energy: -33.059 Base-Backbone interact. energy: -0.000 local terms energy: -40.889971 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -11.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -58.728571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.728571 (E_RNA) where: Base-Base interactions energy: -26.632 where: short stacking energy: -26.632 Base-Backbone interact. energy: -0.000 local terms energy: -32.096506 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -55.495333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.495333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.495333 (E_RNA) where: Base-Base interactions energy: -25.793 where: short stacking energy: -19.315 Base-Backbone interact. energy: -0.020 local terms energy: -29.682657 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.775 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: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -70.366591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.366591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.366591 (E_RNA) where: Base-Base interactions energy: -39.683 where: short stacking energy: -32.274 Base-Backbone interact. energy: -0.012 local terms energy: -30.671432 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -2.067 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: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -54.740187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.740187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.740187 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.000 local terms energy: -32.945857 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -4.002 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: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -44.695775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.695775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.695775 (E_RNA) where: Base-Base interactions energy: -16.871 where: short stacking energy: -17.271 Base-Backbone interact. energy: -0.172 local terms energy: -27.652496 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -50.006945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.006945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.006945 (E_RNA) where: Base-Base interactions energy: -16.557 where: short stacking energy: -15.631 Base-Backbone interact. energy: -0.000 local terms energy: -33.449747 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -49.480893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.480893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.480893 (E_RNA) where: Base-Base interactions energy: -23.689 where: short stacking energy: -17.239 Base-Backbone interact. energy: -0.003 local terms energy: -25.787922 where: bonds (distance) C4'-P energy: -2.627 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -2.846 flat angles P-C4'-P energy: -5.818 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: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -37.782635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.782635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.782635 (E_RNA) where: Base-Base interactions energy: -12.683 where: short stacking energy: -10.864 Base-Backbone interact. energy: 0.048 local terms energy: -25.147750 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -5.332 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -3.793 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: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -70.215594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.215594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.215594 (E_RNA) where: Base-Base interactions energy: -39.798 where: short stacking energy: -12.791 Base-Backbone interact. energy: -1.235 local terms energy: -29.182936 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.527 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: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -73.488940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.488940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.488940 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -22.445 Base-Backbone interact. energy: -0.007 local terms energy: -35.527156 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -60.690047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.690047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.690047 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.000 local terms energy: -38.298554 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -7.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -61.620868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.620868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.620868 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -22.260 Base-Backbone interact. energy: -0.055 local terms energy: -27.683930 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -1.644 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: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -49.992665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.992665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.992665 (E_RNA) where: Base-Base interactions energy: -18.093 where: short stacking energy: -14.992 Base-Backbone interact. energy: -1.532 local terms energy: -30.366756 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -45.959021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.959021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.959021 (E_RNA) where: Base-Base interactions energy: -13.639 where: short stacking energy: -13.639 Base-Backbone interact. energy: -0.402 local terms energy: -31.918614 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -49.600993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.600993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.600993 (E_RNA) where: Base-Base interactions energy: -22.923 where: short stacking energy: -22.923 Base-Backbone interact. energy: -0.000 local terms energy: -26.677209 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.570 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -51.214874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214874 (E_RNA) where: Base-Base interactions energy: -20.502 where: short stacking energy: -19.822 Base-Backbone interact. energy: -0.018 local terms energy: -30.694394 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -4.521 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: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -50.119363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.119363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.119363 (E_RNA) where: Base-Base interactions energy: -19.543 where: short stacking energy: -19.543 Base-Backbone interact. energy: -0.000 local terms energy: -30.575829 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -7.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -43.799296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.799296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.799296 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -19.507 Base-Backbone interact. energy: -0.026 local terms energy: -24.266863 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -3.290 flat angles P-C4'-P energy: -1.943 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: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -73.716566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.716566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.716566 (E_RNA) where: Base-Base interactions energy: -33.984 where: short stacking energy: -29.936 Base-Backbone interact. energy: -0.000 local terms energy: -39.731885 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -72.854877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.854877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.854877 (E_RNA) where: Base-Base interactions energy: -44.669 where: short stacking energy: -20.050 Base-Backbone interact. energy: 0.203 local terms energy: -28.388855 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.832 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: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -70.997435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.997435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.997435 (E_RNA) where: Base-Base interactions energy: -41.503 where: short stacking energy: -22.562 Base-Backbone interact. energy: -0.002 local terms energy: -29.492746 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -3.621 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: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -48.461022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.461022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.461022 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.109 local terms energy: -30.870050 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -5.532 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: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -55.520894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.520894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.520894 (E_RNA) where: Base-Base interactions energy: -27.072 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.007 local terms energy: -28.441756 where: bonds (distance) C4'-P energy: -7.120 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -50.905332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.905332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.905332 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -22.804 Base-Backbone interact. energy: -0.004 local terms energy: -28.098074 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -54.911070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.911070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.911070 (E_RNA) where: Base-Base interactions energy: -22.242 where: short stacking energy: -22.242 Base-Backbone interact. energy: -0.000 local terms energy: -32.668675 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.677 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: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -46.782143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.782143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.782143 (E_RNA) where: Base-Base interactions energy: -19.806 where: short stacking energy: -16.081 Base-Backbone interact. energy: -0.177 local terms energy: -26.799604 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -2.999 flat angles P-C4'-P energy: -6.268 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: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -40.284490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.284490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.284490 (E_RNA) where: Base-Base interactions energy: -13.193 where: short stacking energy: -13.193 Base-Backbone interact. energy: 0.652 local terms energy: -27.743580 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.166 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -38.461128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.461128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.461128 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: -0.160 local terms energy: -26.824326 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: 0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -64.317890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.317890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.317890 (E_RNA) where: Base-Base interactions energy: -29.506 where: short stacking energy: -29.506 Base-Backbone interact. energy: -0.001 local terms energy: -34.811123 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -6.097 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -62.755503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.755503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.755503 (E_RNA) where: Base-Base interactions energy: -33.862 where: short stacking energy: -23.609 Base-Backbone interact. energy: -0.050 local terms energy: -28.843466 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -67.826460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.826460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.826460 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -21.680 Base-Backbone interact. energy: -0.087 local terms energy: -35.706469 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -56.889930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.889930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.889930 (E_RNA) where: Base-Base interactions energy: -21.284 where: short stacking energy: -21.284 Base-Backbone interact. energy: -0.000 local terms energy: -35.605477 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -49.850259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.850259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.850259 (E_RNA) where: Base-Base interactions energy: -19.526 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.092 local terms energy: -30.232749 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -6.044 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: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -58.592353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.592353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.592353 (E_RNA) where: Base-Base interactions energy: -30.604 where: short stacking energy: -30.604 Base-Backbone interact. energy: -0.005 local terms energy: -27.982684 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -1.733 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -49.170041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.170041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.170041 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.000 local terms energy: -28.725564 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -4.382 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: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -43.314202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.314202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.314202 (E_RNA) where: Base-Base interactions energy: -15.857 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.002 local terms energy: -27.455359 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -49.473201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.473201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.473201 (E_RNA) where: Base-Base interactions energy: -19.040 where: short stacking energy: -19.040 Base-Backbone interact. energy: -0.000 local terms energy: -30.432702 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -46.470479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.470479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.470479 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -10.038 Base-Backbone interact. energy: -0.000 local terms energy: -30.317096 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.375 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: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -79.146648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.146648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.146648 (E_RNA) where: Base-Base interactions energy: -45.480 where: short stacking energy: -25.690 Base-Backbone interact. energy: -0.001 local terms energy: -33.665947 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -61.195617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.195617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.195617 (E_RNA) where: Base-Base interactions energy: -27.732 where: short stacking energy: -27.732 Base-Backbone interact. energy: -0.001 local terms energy: -33.462679 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.134 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: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -58.939531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.939531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.939531 (E_RNA) where: Base-Base interactions energy: -22.515 where: short stacking energy: -22.515 Base-Backbone interact. energy: -0.000 local terms energy: -36.424518 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -56.556983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.556983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.556983 (E_RNA) where: Base-Base interactions energy: -27.444 where: short stacking energy: -18.228 Base-Backbone interact. energy: -0.004 local terms energy: -29.109585 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.835 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: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -55.861069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.861069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.861069 (E_RNA) where: Base-Base interactions energy: -23.575 where: short stacking energy: -23.575 Base-Backbone interact. energy: -0.000 local terms energy: -32.286279 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -60.227637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.227637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.227637 (E_RNA) where: Base-Base interactions energy: -27.052 where: short stacking energy: -27.052 Base-Backbone interact. energy: -0.001 local terms energy: -33.175019 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -50.530663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.530663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.530663 (E_RNA) where: Base-Base interactions energy: -23.066 where: short stacking energy: -22.426 Base-Backbone interact. energy: -0.004 local terms energy: -27.460755 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.712 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: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -48.110793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.110793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.110793 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.020 local terms energy: -33.945268 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -44.110127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.110127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.110127 (E_RNA) where: Base-Base interactions energy: -18.321 where: short stacking energy: -15.768 Base-Backbone interact. energy: -0.043 local terms energy: -25.746121 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -44.426507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.426507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.426507 (E_RNA) where: Base-Base interactions energy: -17.309 where: short stacking energy: -17.309 Base-Backbone interact. energy: -0.081 local terms energy: -27.036816 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -75.072659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.072659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.072659 (E_RNA) where: Base-Base interactions energy: -37.100 where: short stacking energy: -31.153 Base-Backbone interact. energy: -0.000 local terms energy: -37.972319 where: bonds (distance) C4'-P energy: -6.919 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -61.932862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.932862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.932862 (E_RNA) where: Base-Base interactions energy: -27.581 where: short stacking energy: -27.581 Base-Backbone interact. energy: -0.001 local terms energy: -34.351284 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -60.516056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.516056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.516056 (E_RNA) where: Base-Base interactions energy: -28.643 where: short stacking energy: -24.304 Base-Backbone interact. energy: -0.008 local terms energy: -31.865429 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -8.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -56.916961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.916961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.916961 (E_RNA) where: Base-Base interactions energy: -25.085 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.001 local terms energy: -31.830827 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -2.530 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: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -58.223192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.223192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.223192 (E_RNA) where: Base-Base interactions energy: -28.605 where: short stacking energy: -16.289 Base-Backbone interact. energy: -0.063 local terms energy: -29.555271 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -50.543479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.543479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.543479 (E_RNA) where: Base-Base interactions energy: -17.133 where: short stacking energy: -17.133 Base-Backbone interact. energy: -0.000 local terms energy: -33.409822 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -4.324 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: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -46.722029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.722029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.722029 (E_RNA) where: Base-Base interactions energy: -18.713 where: short stacking energy: -18.713 Base-Backbone interact. energy: -0.000 local terms energy: -28.009320 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -3.258 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: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -51.660907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.660907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.660907 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -18.143 Base-Backbone interact. energy: -0.017 local terms energy: -25.392356 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -44.001327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.001327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.001327 (E_RNA) where: Base-Base interactions energy: -20.653 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.009 local terms energy: -23.339606 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -2.960 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: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -41.136411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.136411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.136411 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: -0.035 local terms energy: -28.785686 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -62.708965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.708965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.708965 (E_RNA) where: Base-Base interactions energy: -28.373 where: short stacking energy: -28.373 Base-Backbone interact. energy: -0.032 local terms energy: -34.303961 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -65.859008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.859008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.859008 (E_RNA) where: Base-Base interactions energy: -36.821 where: short stacking energy: -18.307 Base-Backbone interact. energy: -0.015 local terms energy: -29.022883 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.168 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: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -63.280728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.280728 (E_RNA) where: Base-Base interactions energy: -27.014 where: short stacking energy: -26.585 Base-Backbone interact. energy: -0.000 local terms energy: -36.266738 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -51.041120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.041120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.041120 (E_RNA) where: Base-Base interactions energy: -22.182 where: short stacking energy: -16.536 Base-Backbone interact. energy: -0.100 local terms energy: -28.759416 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: 0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -51.399773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.399773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.399773 (E_RNA) where: Base-Base interactions energy: -23.816 where: short stacking energy: -18.240 Base-Backbone interact. energy: -0.040 local terms energy: -27.543644 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: 0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -50.409648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.409648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.409648 (E_RNA) where: Base-Base interactions energy: -18.933 where: short stacking energy: -18.933 Base-Backbone interact. energy: -0.105 local terms energy: -31.371955 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -7.035 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: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -55.983829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.983829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.983829 (E_RNA) where: Base-Base interactions energy: -32.079 where: short stacking energy: -19.912 Base-Backbone interact. energy: -0.046 local terms energy: -23.858102 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -43.353642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.353642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.353642 (E_RNA) where: Base-Base interactions energy: -18.475 where: short stacking energy: -9.840 Base-Backbone interact. energy: -0.001 local terms energy: -24.877502 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: 1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -46.537027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537027 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.041 local terms energy: -32.296741 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -5.760 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: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -35.619590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.619590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.619590 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -0.587 Base-Backbone interact. energy: -0.025 local terms energy: -25.998454 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: 0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -66.459180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.459180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.459180 (E_RNA) where: Base-Base interactions energy: -28.083 where: short stacking energy: -28.083 Base-Backbone interact. energy: -0.000 local terms energy: -38.376430 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -10.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -66.244703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.244703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.244703 (E_RNA) where: Base-Base interactions energy: -29.883 where: short stacking energy: -24.171 Base-Backbone interact. energy: -0.002 local terms energy: -36.358989 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -66.555391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.555391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.555391 (E_RNA) where: Base-Base interactions energy: -32.655 where: short stacking energy: -22.951 Base-Backbone interact. energy: -0.063 local terms energy: -33.837543 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -55.289617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.289617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.289617 (E_RNA) where: Base-Base interactions energy: -26.142 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.079 local terms energy: -29.068795 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -3.415 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: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -53.319066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.319066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.319066 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -25.563 Base-Backbone interact. energy: -0.002 local terms energy: -27.062714 where: bonds (distance) C4'-P energy: -3.167 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -55.565989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.565989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.565989 (E_RNA) where: Base-Base interactions energy: -27.534 where: short stacking energy: -21.586 Base-Backbone interact. energy: -0.018 local terms energy: -28.014111 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.440 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: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -50.864948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.864948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.864948 (E_RNA) where: Base-Base interactions energy: -21.166 where: short stacking energy: -21.166 Base-Backbone interact. energy: -0.021 local terms energy: -29.677635 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -49.962705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.962705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.962705 (E_RNA) where: Base-Base interactions energy: -18.871 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.013 local terms energy: -31.078629 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -57.955682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.955682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.955682 (E_RNA) where: Base-Base interactions energy: -24.754 where: short stacking energy: -24.754 Base-Backbone interact. energy: -0.000 local terms energy: -33.201249 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -5.761 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: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -44.767247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.767247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.767247 (E_RNA) where: Base-Base interactions energy: -20.727 where: short stacking energy: -20.727 Base-Backbone interact. energy: -0.300 local terms energy: -23.740022 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.137 flat angles C4'-P-C4' energy: -2.853 flat angles P-C4'-P energy: -5.213 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: 244 Temperature: 0.900000 Total energy: -74.433718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.433718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.433718 (E_RNA) where: Base-Base interactions energy: -30.471 where: short stacking energy: -30.471 Base-Backbone interact. energy: -0.000 local terms energy: -43.962833 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: -10.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -63.763819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.763819 (E_RNA) where: Base-Base interactions energy: -30.509 where: short stacking energy: -30.509 Base-Backbone interact. energy: -0.000 local terms energy: -33.254569 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -7.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -68.108078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.108078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.108078 (E_RNA) where: Base-Base interactions energy: -33.277 where: short stacking energy: -27.809 Base-Backbone interact. energy: -0.002 local terms energy: -34.829765 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -54.576484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.576484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.576484 (E_RNA) where: Base-Base interactions energy: -25.011 where: short stacking energy: -25.011 Base-Backbone interact. energy: -0.000 local terms energy: -29.565619 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -3.043 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: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -61.096185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.096185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.096185 (E_RNA) where: Base-Base interactions energy: -32.520 where: short stacking energy: -20.820 Base-Backbone interact. energy: 0.804 local terms energy: -29.379636 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -1.667 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: 244 Temperature: 1.150000 Total energy: -50.540274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.540274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.540274 (E_RNA) where: Base-Base interactions energy: -22.425 where: short stacking energy: -22.425 Base-Backbone interact. energy: -0.001 local terms energy: -28.113816 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -47.274544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.274544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.274544 (E_RNA) where: Base-Base interactions energy: -18.204 where: short stacking energy: -13.674 Base-Backbone interact. energy: -0.008 local terms energy: -29.062551 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -6.616 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: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -46.710011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.710011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.710011 (E_RNA) where: Base-Base interactions energy: -18.943 where: short stacking energy: -18.647 Base-Backbone interact. energy: -0.009 local terms energy: -27.757946 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -47.284026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.284026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.284026 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -13.380 Base-Backbone interact. energy: -0.026 local terms energy: -33.236037 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -42.433266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.433266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.433266 (E_RNA) where: Base-Base interactions energy: -15.314 where: short stacking energy: -15.314 Base-Backbone interact. energy: -0.062 local terms energy: -27.057590 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -60.187312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.187312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.187312 (E_RNA) where: Base-Base interactions energy: -26.200 where: short stacking energy: -24.779 Base-Backbone interact. energy: -0.049 local terms energy: -33.938527 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -5.904 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: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -64.395471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.395471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.395471 (E_RNA) where: Base-Base interactions energy: -31.715 where: short stacking energy: -31.715 Base-Backbone interact. energy: -0.000 local terms energy: -32.679931 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -65.801541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.801541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.801541 (E_RNA) where: Base-Base interactions energy: -26.305 where: short stacking energy: -26.305 Base-Backbone interact. energy: -0.009 local terms energy: -39.487813 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -65.733002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.733002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.733002 (E_RNA) where: Base-Base interactions energy: -36.066 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.012 local terms energy: -29.654857 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.238 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: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -47.694712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.694712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.694712 (E_RNA) where: Base-Base interactions energy: -18.790 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.017 local terms energy: -28.887642 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -61.224258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.224258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.224258 (E_RNA) where: Base-Base interactions energy: -30.646 where: short stacking energy: -17.996 Base-Backbone interact. energy: -0.001 local terms energy: -30.577367 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -48.498288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.498288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.498288 (E_RNA) where: Base-Base interactions energy: -17.438 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.139 local terms energy: -30.921271 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -42.471920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.471920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.471920 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -16.707 Base-Backbone interact. energy: -0.068 local terms energy: -25.696776 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -0.572 tors. eta vs tors. theta energy: -4.538 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: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -38.334596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.334596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.334596 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.056 local terms energy: -27.517293 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -43.240702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.240702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.240702 (E_RNA) where: Base-Base interactions energy: -16.379 where: short stacking energy: -16.547 Base-Backbone interact. energy: -0.045 local terms energy: -26.817389 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -59.131173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.131173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.131173 (E_RNA) where: Base-Base interactions energy: -23.913 where: short stacking energy: -20.669 Base-Backbone interact. energy: -0.015 local terms energy: -35.203697 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -5.780 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: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -60.626002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.626002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.626002 (E_RNA) where: Base-Base interactions energy: -24.398 where: short stacking energy: -24.398 Base-Backbone interact. energy: -0.003 local terms energy: -36.224691 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -6.684 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: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -53.867609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.867609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.867609 (E_RNA) where: Base-Base interactions energy: -24.518 where: short stacking energy: -19.908 Base-Backbone interact. energy: -0.002 local terms energy: -29.348105 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -58.632195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.632195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.632195 (E_RNA) where: Base-Base interactions energy: -27.030 where: short stacking energy: -21.697 Base-Backbone interact. energy: -0.709 local terms energy: -30.892644 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -3.895 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: 246 Temperature: 1.100000 Total energy: -49.670108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.670108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.670108 (E_RNA) where: Base-Base interactions energy: -25.305 where: short stacking energy: -15.589 Base-Backbone interact. energy: -0.005 local terms energy: -24.359672 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.900 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -1.710 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: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -42.866696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.866696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.866696 (E_RNA) where: Base-Base interactions energy: -16.470 where: short stacking energy: -16.470 Base-Backbone interact. energy: -0.000 local terms energy: -26.396989 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -3.787 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -4.715 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: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -43.687101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.687101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.687101 (E_RNA) where: Base-Base interactions energy: -16.610 where: short stacking energy: -16.610 Base-Backbone interact. energy: -0.004 local terms energy: -27.073408 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.686 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: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -49.595648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.595648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.595648 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.000 local terms energy: -29.935261 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -45.993571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.993571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.993571 (E_RNA) where: Base-Base interactions energy: -13.554 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.000 local terms energy: -32.439148 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -2.455 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: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -39.889511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.889511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.889511 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.142 Base-Backbone interact. energy: -0.005 local terms energy: -31.997544 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.715 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: 1, replica: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -48.557881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.557881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.557881 (E_RNA) where: Base-Base interactions energy: -17.302 where: short stacking energy: -17.302 Base-Backbone interact. energy: 0.808 local terms energy: -32.064110 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -5.723 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: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -61.543030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.543030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.543030 (E_RNA) where: Base-Base interactions energy: -27.455 where: short stacking energy: -27.455 Base-Backbone interact. energy: -0.000 local terms energy: -34.087909 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.172 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: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -61.451897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.451897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.451897 (E_RNA) where: Base-Base interactions energy: -23.810 where: short stacking energy: -23.810 Base-Backbone interact. energy: -0.100 local terms energy: -37.542093 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.816 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -48.422021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.422021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.422021 (E_RNA) where: Base-Base interactions energy: -17.662 where: short stacking energy: -17.662 Base-Backbone interact. energy: -0.029 local terms energy: -30.730757 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -6.498 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: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -49.409493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.409493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.409493 (E_RNA) where: Base-Base interactions energy: -17.050 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.096 local terms energy: -32.263745 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -4.509 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: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -47.387137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.387137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.387137 (E_RNA) where: Base-Base interactions energy: -19.126 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.121 local terms energy: -28.140442 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -52.786996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.786996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.786996 (E_RNA) where: Base-Base interactions energy: -24.201 where: short stacking energy: -22.453 Base-Backbone interact. energy: -0.000 local terms energy: -28.585816 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -44.821513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.821513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.821513 (E_RNA) where: Base-Base interactions energy: -18.991 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.107 local terms energy: -25.723027 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -54.226761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.226761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.226761 (E_RNA) where: Base-Base interactions energy: -20.777 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.000 local terms energy: -33.449743 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -41.363663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.363663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.363663 (E_RNA) where: Base-Base interactions energy: -13.970 where: short stacking energy: -13.970 Base-Backbone interact. energy: -0.001 local terms energy: -27.392773 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -69.321113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.321113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.321113 (E_RNA) where: Base-Base interactions energy: -30.001 where: short stacking energy: -30.001 Base-Backbone interact. energy: -0.002 local terms energy: -39.318399 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -58.119876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.119876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.119876 (E_RNA) where: Base-Base interactions energy: -24.353 where: short stacking energy: -24.353 Base-Backbone interact. energy: -0.001 local terms energy: -33.766221 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -55.893766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.893766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.893766 (E_RNA) where: Base-Base interactions energy: -19.656 where: short stacking energy: -19.656 Base-Backbone interact. energy: -1.161 local terms energy: -35.077300 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -58.123864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.123864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.123864 (E_RNA) where: Base-Base interactions energy: -25.712 where: short stacking energy: -25.712 Base-Backbone interact. energy: -0.003 local terms energy: -32.408700 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -7.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -52.980209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.980209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.980209 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -19.329 Base-Backbone interact. energy: -0.129 local terms energy: -33.521935 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -51.981619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.981619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.981619 (E_RNA) where: Base-Base interactions energy: -18.684 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.140 local terms energy: -33.157411 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -7.582 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: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -43.230373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.230373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.230373 (E_RNA) where: Base-Base interactions energy: -15.752 where: short stacking energy: -15.752 Base-Backbone interact. energy: -0.001 local terms energy: -27.477357 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -4.749 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.691 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: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -45.323801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.323801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.323801 (E_RNA) where: Base-Base interactions energy: -17.477 where: short stacking energy: -17.477 Base-Backbone interact. energy: -0.003 local terms energy: -27.844047 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.514 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -6.610 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: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -41.724942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.724942 (E_RNA) where: Base-Base interactions energy: -15.225 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.059 local terms energy: -26.440887 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -4.259 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: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -40.854860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.854860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.854860 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.005 local terms energy: -26.177901 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -0.573 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: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -64.687253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.687253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.687253 (E_RNA) where: Base-Base interactions energy: -28.967 where: short stacking energy: -25.310 Base-Backbone interact. energy: -0.001 local terms energy: -35.719424 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -4.651 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: 249 Temperature: 0.950000 Total energy: -65.036856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.036856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.036856 (E_RNA) where: Base-Base interactions energy: -28.079 where: short stacking energy: -21.743 Base-Backbone interact. energy: -0.000 local terms energy: -36.957215 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -8.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -58.821367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.821367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.821367 (E_RNA) where: Base-Base interactions energy: -25.158 where: short stacking energy: -23.890 Base-Backbone interact. energy: -0.000 local terms energy: -33.663440 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -5.779 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: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -52.158547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.158547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.158547 (E_RNA) where: Base-Base interactions energy: -19.962 where: short stacking energy: -19.962 Base-Backbone interact. energy: -0.009 local terms energy: -32.188002 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -6.990 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.947 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: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -51.356451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.356451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.356451 (E_RNA) where: Base-Base interactions energy: -20.832 where: short stacking energy: -19.043 Base-Backbone interact. energy: -0.000 local terms energy: -30.523970 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -49.162508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.162508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.162508 (E_RNA) where: Base-Base interactions energy: -20.326 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.007 local terms energy: -28.829485 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -48.376144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.376144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.376144 (E_RNA) where: Base-Base interactions energy: -18.826 where: short stacking energy: -18.255 Base-Backbone interact. energy: -0.032 local terms energy: -29.518116 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -41.266397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.266397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.266397 (E_RNA) where: Base-Base interactions energy: -14.910 where: short stacking energy: -6.233 Base-Backbone interact. energy: -0.013 local terms energy: -26.342901 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -6.373 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: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -45.874870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.874870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.874870 (E_RNA) where: Base-Base interactions energy: -22.095 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.057 local terms energy: -23.723190 where: bonds (distance) C4'-P energy: -3.133 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.536 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: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -44.274155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.274155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.274155 (E_RNA) where: Base-Base interactions energy: -18.377 where: short stacking energy: -18.377 Base-Backbone interact. energy: -0.028 local terms energy: -25.869641 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -62.227302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.227302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.227302 (E_RNA) where: Base-Base interactions energy: -26.870 where: short stacking energy: -26.870 Base-Backbone interact. energy: -0.000 local terms energy: -35.357120 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -62.045912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.045912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.045912 (E_RNA) where: Base-Base interactions energy: -31.024 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.038 local terms energy: -30.984334 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -1.774 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -53.256670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.256670 (E_RNA) where: Base-Base interactions energy: -20.853 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.119 local terms energy: -32.285114 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -51.237540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.237540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.237540 (E_RNA) where: Base-Base interactions energy: -19.325 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.002 local terms energy: -31.910088 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -5.989 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: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -53.014005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.014005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.014005 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.068 local terms energy: -33.372098 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -5.931 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: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -48.570806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.570806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.570806 (E_RNA) where: Base-Base interactions energy: -18.231 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.022 local terms energy: -30.317548 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -53.160127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.160127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.160127 (E_RNA) where: Base-Base interactions energy: -26.784 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.037 local terms energy: -26.338982 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -7.459 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: 250 Temperature: 1.250000 Total energy: -51.241631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.241631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.241631 (E_RNA) where: Base-Base interactions energy: -26.579 where: short stacking energy: -26.579 Base-Backbone interact. energy: -0.000 local terms energy: -24.662102 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.439 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -1.261 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -49.840686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.840686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.840686 (E_RNA) where: Base-Base interactions energy: -21.978 where: short stacking energy: -15.743 Base-Backbone interact. energy: -0.053 local terms energy: -27.810456 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -47.063594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.063594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.063594 (E_RNA) where: Base-Base interactions energy: -25.715 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.075 local terms energy: -21.273187 where: bonds (distance) C4'-P energy: -3.840 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -1.570 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: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -60.736760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.736760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.736760 (E_RNA) where: Base-Base interactions energy: -27.336 where: short stacking energy: -27.336 Base-Backbone interact. energy: -0.003 local terms energy: -33.398483 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.827 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: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -59.128663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.128663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.128663 (E_RNA) where: Base-Base interactions energy: -24.991 where: short stacking energy: -15.615 Base-Backbone interact. energy: -0.047 local terms energy: -34.090225 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -62.824180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.824180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.824180 (E_RNA) where: Base-Base interactions energy: -37.260 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.149 local terms energy: -25.415501 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: 1.078 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: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -52.028758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.028758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.028758 (E_RNA) where: Base-Base interactions energy: -21.340 where: short stacking energy: -19.239 Base-Backbone interact. energy: 0.268 local terms energy: -30.957365 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -2.637 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: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -53.857693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.857693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.857693 (E_RNA) where: Base-Base interactions energy: -22.350 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.007 local terms energy: -31.501164 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.229 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -5.938 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: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -50.937964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.937964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.937964 (E_RNA) where: Base-Base interactions energy: -22.718 where: short stacking energy: -18.794 Base-Backbone interact. energy: -0.039 local terms energy: -28.181409 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -1.734 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: 251 Temperature: 1.200000 Total energy: -52.315898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.315898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.315898 (E_RNA) where: Base-Base interactions energy: -19.265 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.001 local terms energy: -33.049636 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -47.366846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.366846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.366846 (E_RNA) where: Base-Base interactions energy: -18.895 where: short stacking energy: -18.895 Base-Backbone interact. energy: -0.001 local terms energy: -28.470053 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -39.651295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.651295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.651295 (E_RNA) where: Base-Base interactions energy: -19.487 where: short stacking energy: -12.357 Base-Backbone interact. energy: 1.062 local terms energy: -21.225554 where: bonds (distance) C4'-P energy: -2.049 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -47.464452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.464452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.464452 (E_RNA) where: Base-Base interactions energy: -15.851 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.956 local terms energy: -30.657543 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.660 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: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -64.593146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.593146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.593146 (E_RNA) where: Base-Base interactions energy: -31.775 where: short stacking energy: -31.775 Base-Backbone interact. energy: -0.036 local terms energy: -32.782854 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -58.017454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.017454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.017454 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.004 local terms energy: -30.190259 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -57.874188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.874188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.874188 (E_RNA) where: Base-Base interactions energy: -25.778 where: short stacking energy: -24.026 Base-Backbone interact. energy: -0.005 local terms energy: -32.091031 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -54.156907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.156907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.156907 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.002 local terms energy: -33.965833 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -61.517122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.517122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.517122 (E_RNA) where: Base-Base interactions energy: -27.550 where: short stacking energy: -27.550 Base-Backbone interact. energy: -0.000 local terms energy: -33.966466 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -9.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -58.135758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.135758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.135758 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -22.405 Base-Backbone interact. energy: -0.000 local terms energy: -35.730428 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -7.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -42.625402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.625402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.625402 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.058 local terms energy: -28.531500 where: bonds (distance) C4'-P energy: -5.398 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -1.850 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: 252 Temperature: 1.250000 Total energy: -48.882487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.882487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.882487 (E_RNA) where: Base-Base interactions energy: -19.598 where: short stacking energy: -19.598 Base-Backbone interact. energy: -0.000 local terms energy: -29.284040 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -5.173 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -48.670585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.670585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.670585 (E_RNA) where: Base-Base interactions energy: -25.921 where: short stacking energy: -20.206 Base-Backbone interact. energy: -0.025 local terms energy: -22.725216 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -40.713334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713334 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.027 local terms energy: -25.835258 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -64.553808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.553808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.553808 (E_RNA) where: Base-Base interactions energy: -28.855 where: short stacking energy: -28.664 Base-Backbone interact. energy: -0.017 local terms energy: -35.681350 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -55.771711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.771711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.771711 (E_RNA) where: Base-Base interactions energy: -23.753 where: short stacking energy: -20.660 Base-Backbone interact. energy: -0.189 local terms energy: -31.829925 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -7.514 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: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -52.301751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.301751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.301751 (E_RNA) where: Base-Base interactions energy: -16.870 where: short stacking energy: -16.870 Base-Backbone interact. energy: -0.004 local terms energy: -35.428287 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -7.590 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: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -58.143190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.143190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.143190 (E_RNA) where: Base-Base interactions energy: -25.935 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.029 local terms energy: -32.179180 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -6.651 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: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -51.740887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.740887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.740887 (E_RNA) where: Base-Base interactions energy: -22.959 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.002 local terms energy: -28.780530 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -41.522028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.522028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.522028 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.000 local terms energy: -29.449817 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -42.234984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.234984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.234984 (E_RNA) where: Base-Base interactions energy: -13.513 where: short stacking energy: -13.513 Base-Backbone interact. energy: -0.032 local terms energy: -28.689550 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -50.564154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.564154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.564154 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.106 local terms energy: -34.084610 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -5.666 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: 9, replica: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -43.500264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.500264 (E_RNA) where: Base-Base interactions energy: -16.790 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.013 local terms energy: -26.697260 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -5.793 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: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -48.119929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119929 (E_RNA) where: Base-Base interactions energy: -16.205 where: short stacking energy: -16.205 Base-Backbone interact. energy: -0.001 local terms energy: -31.914160 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -7.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -69.647097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.647097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.647097 (E_RNA) where: Base-Base interactions energy: -28.456 where: short stacking energy: -28.456 Base-Backbone interact. energy: -0.000 local terms energy: -41.191048 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -9.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -57.347903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.347903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.347903 (E_RNA) where: Base-Base interactions energy: -23.969 where: short stacking energy: -17.554 Base-Backbone interact. energy: -0.000 local terms energy: -33.378200 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -8.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -59.304304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.304304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.304304 (E_RNA) where: Base-Base interactions energy: -25.253 where: short stacking energy: -25.253 Base-Backbone interact. energy: -0.089 local terms energy: -33.962436 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -3.966 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: 4, replica: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -59.706549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.706549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.706549 (E_RNA) where: Base-Base interactions energy: -25.336 where: short stacking energy: -25.336 Base-Backbone interact. energy: -0.006 local terms energy: -34.364412 where: bonds (distance) C4'-P energy: -4.347 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -9.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -58.827672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.827672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.827672 (E_RNA) where: Base-Base interactions energy: -27.959 where: short stacking energy: -23.917 Base-Backbone interact. energy: -0.000 local terms energy: -30.868488 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -8.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -55.438277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.438277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.438277 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -15.748 Base-Backbone interact. energy: -0.086 local terms energy: -34.521158 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -55.936114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.936114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.936114 (E_RNA) where: Base-Base interactions energy: -23.826 where: short stacking energy: -17.182 Base-Backbone interact. energy: -0.000 local terms energy: -32.110062 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -2.538 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: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -49.013720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.013720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.013720 (E_RNA) where: Base-Base interactions energy: -20.883 where: short stacking energy: -20.883 Base-Backbone interact. energy: -0.001 local terms energy: -28.129277 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.458 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: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -44.383831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.383831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.383831 (E_RNA) where: Base-Base interactions energy: -13.063 where: short stacking energy: -11.234 Base-Backbone interact. energy: -0.049 local terms energy: -31.271836 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -39.637974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.637974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.637974 (E_RNA) where: Base-Base interactions energy: -15.049 where: short stacking energy: -15.049 Base-Backbone interact. energy: -0.000 local terms energy: -24.588801 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -2.910 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: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -69.732530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.732530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.732530 (E_RNA) where: Base-Base interactions energy: -34.285 where: short stacking energy: -34.285 Base-Backbone interact. energy: -0.000 local terms energy: -35.447741 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -60.371262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.371262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.371262 (E_RNA) where: Base-Base interactions energy: -26.233 where: short stacking energy: -26.233 Base-Backbone interact. energy: -0.075 local terms energy: -34.062850 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -5.482 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -57.021398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.021398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.021398 (E_RNA) where: Base-Base interactions energy: -21.629 where: short stacking energy: -21.629 Base-Backbone interact. energy: -0.003 local terms energy: -35.389697 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -69.534912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.534912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.534912 (E_RNA) where: Base-Base interactions energy: -36.527 where: short stacking energy: -26.314 Base-Backbone interact. energy: -0.379 local terms energy: -32.628922 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -6.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -52.864933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.864933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.864933 (E_RNA) where: Base-Base interactions energy: -21.026 where: short stacking energy: -20.191 Base-Backbone interact. energy: -0.000 local terms energy: -31.838972 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -7.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -53.630820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.630820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.630820 (E_RNA) where: Base-Base interactions energy: -20.208 where: short stacking energy: -20.208 Base-Backbone interact. energy: -0.000 local terms energy: -33.422045 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -4.988 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: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -52.847348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.847348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.847348 (E_RNA) where: Base-Base interactions energy: -28.389 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.291 local terms energy: -24.167424 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -1.677 flat angles P-C4'-P energy: -5.923 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: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -46.340910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.340910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.340910 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -9.867 Base-Backbone interact. energy: -0.097 local terms energy: -26.751379 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -5.056 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -38.557107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.557107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.557107 (E_RNA) where: Base-Base interactions energy: -14.905 where: short stacking energy: -14.905 Base-Backbone interact. energy: -0.155 local terms energy: -23.497773 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -2.635 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -3.733 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: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -46.032967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.032967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.032967 (E_RNA) where: Base-Base interactions energy: -19.529 where: short stacking energy: -19.150 Base-Backbone interact. energy: 0.671 local terms energy: -27.175176 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -2.243 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: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -66.442653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.442653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.442653 (E_RNA) where: Base-Base interactions energy: -29.200 where: short stacking energy: -29.200 Base-Backbone interact. energy: -0.000 local terms energy: -37.242681 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -9.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -57.154859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.154859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.154859 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.000 local terms energy: -33.032719 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -57.746955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.746955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.746955 (E_RNA) where: Base-Base interactions energy: -28.974 where: short stacking energy: -25.221 Base-Backbone interact. energy: -0.044 local terms energy: -28.728925 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -2.904 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: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -52.666557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.666557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.666557 (E_RNA) where: Base-Base interactions energy: -20.758 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.000 local terms energy: -31.908414 where: bonds (distance) C4'-P energy: -5.322 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -5.180 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: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -57.484085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.484085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.484085 (E_RNA) where: Base-Base interactions energy: -28.617 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.018 local terms energy: -28.849230 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -52.234999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.234999 (E_RNA) where: Base-Base interactions energy: -21.944 where: short stacking energy: -21.944 Base-Backbone interact. energy: -0.019 local terms energy: -30.271711 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -62.921260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.921260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.921260 (E_RNA) where: Base-Base interactions energy: -30.386 where: short stacking energy: -19.663 Base-Backbone interact. energy: -0.012 local terms energy: -32.523543 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -40.787950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.787950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.787950 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -16.424 Base-Backbone interact. energy: -0.006 local terms energy: -24.357984 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -2.497 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: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -40.740079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.740079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.740079 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.015 local terms energy: -27.340388 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: 0.146 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: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -49.561263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.561263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.561263 (E_RNA) where: Base-Base interactions energy: -20.388 where: short stacking energy: -17.367 Base-Backbone interact. energy: -0.012 local terms energy: -29.161285 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -5.248 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: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -71.285201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.285201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.285201 (E_RNA) where: Base-Base interactions energy: -35.719 where: short stacking energy: -23.124 Base-Backbone interact. energy: -0.000 local terms energy: -35.565518 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -64.927549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.927549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.927549 (E_RNA) where: Base-Base interactions energy: -34.410 where: short stacking energy: -20.993 Base-Backbone interact. energy: -0.006 local terms energy: -30.511951 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -59.611987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.611987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.611987 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -26.217 Base-Backbone interact. energy: -0.001 local terms energy: -31.742373 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -6.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -50.634576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.634576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.634576 (E_RNA) where: Base-Base interactions energy: -20.225 where: short stacking energy: -18.737 Base-Backbone interact. energy: -0.007 local terms energy: -30.402993 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -6.503 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: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -56.446179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.446179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.446179 (E_RNA) where: Base-Base interactions energy: -23.388 where: short stacking energy: -23.388 Base-Backbone interact. energy: -0.008 local terms energy: -33.049972 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -5.396 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: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -49.734620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.734620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.734620 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -18.733 Base-Backbone interact. energy: -0.041 local terms energy: -31.560731 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -7.084 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: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -54.032494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.032494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.032494 (E_RNA) where: Base-Base interactions energy: -25.029 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.000 local terms energy: -29.003453 where: bonds (distance) C4'-P energy: -4.236 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -6.050 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: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -55.432994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.432994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.432994 (E_RNA) where: Base-Base interactions energy: -24.752 where: short stacking energy: -24.752 Base-Backbone interact. energy: 1.287 local terms energy: -31.967662 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -40.349609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.349609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.349609 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -3.494 Base-Backbone interact. energy: -0.224 local terms energy: -28.860456 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -48.865759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.865759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.865759 (E_RNA) where: Base-Base interactions energy: -20.537 where: short stacking energy: -14.149 Base-Backbone interact. energy: -0.024 local terms energy: -28.305290 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -2.595 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: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -69.509135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.509135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.509135 (E_RNA) where: Base-Base interactions energy: -34.643 where: short stacking energy: -18.041 Base-Backbone interact. energy: -0.000 local terms energy: -34.866506 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -6.477 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: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -62.350665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.350665 (E_RNA) where: Base-Base interactions energy: -29.819 where: short stacking energy: -29.819 Base-Backbone interact. energy: -0.004 local terms energy: -32.527587 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -6.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -57.924361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.924361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.924361 (E_RNA) where: Base-Base interactions energy: -24.902 where: short stacking energy: -24.902 Base-Backbone interact. energy: -0.058 local terms energy: -32.964360 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -56.568428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.568428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.568428 (E_RNA) where: Base-Base interactions energy: -22.730 where: short stacking energy: -22.730 Base-Backbone interact. energy: -0.004 local terms energy: -33.833897 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -5.237 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: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -49.412726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.412726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.412726 (E_RNA) where: Base-Base interactions energy: -22.731 where: short stacking energy: -19.520 Base-Backbone interact. energy: -0.167 local terms energy: -26.514155 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -4.947 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: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -52.324364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.324364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.324364 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -20.496 Base-Backbone interact. energy: -0.018 local terms energy: -31.809753 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.768 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: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -46.728072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.728072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.728072 (E_RNA) where: Base-Base interactions energy: -17.929 where: short stacking energy: -17.929 Base-Backbone interact. energy: -0.073 local terms energy: -28.726654 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -39.732627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.732627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.732627 (E_RNA) where: Base-Base interactions energy: -9.870 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.009 local terms energy: -29.853093 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -51.255036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.255036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.255036 (E_RNA) where: Base-Base interactions energy: -22.319 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.002 local terms energy: -28.934164 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -44.593916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.593916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.593916 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.170 local terms energy: -31.339423 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -68.201120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.201120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.201120 (E_RNA) where: Base-Base interactions energy: -35.772 where: short stacking energy: -26.032 Base-Backbone interact. energy: -0.046 local terms energy: -32.383547 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -60.854716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.854716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.854716 (E_RNA) where: Base-Base interactions energy: -24.843 where: short stacking energy: -24.843 Base-Backbone interact. energy: -0.002 local terms energy: -36.010678 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -54.318897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.318897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.318897 (E_RNA) where: Base-Base interactions energy: -25.158 where: short stacking energy: -25.158 Base-Backbone interact. energy: -0.008 local terms energy: -29.152168 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -59.222955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.222955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.222955 (E_RNA) where: Base-Base interactions energy: -21.648 where: short stacking energy: -21.648 Base-Backbone interact. energy: -0.016 local terms energy: -37.558751 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -8.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -57.009556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.009556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.009556 (E_RNA) where: Base-Base interactions energy: -25.596 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.020 local terms energy: -31.393802 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -3.677 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: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -55.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999351 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -25.814 Base-Backbone interact. energy: -0.000 local terms energy: -30.185650 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -4.844 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -52.570754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.570754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.570754 (E_RNA) where: Base-Base interactions energy: -20.671 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.040 local terms energy: -31.859652 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -6.924 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: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -50.792873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.792873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.792873 (E_RNA) where: Base-Base interactions energy: -21.974 where: short stacking energy: -17.097 Base-Backbone interact. energy: -0.002 local terms energy: -28.817676 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -46.273123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.273123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.273123 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -18.441 Base-Backbone interact. energy: 0.179 local terms energy: -28.011198 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -47.604751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.604751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.604751 (E_RNA) where: Base-Base interactions energy: -19.051 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.078 local terms energy: -28.475682 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -70.881727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.881727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.881727 (E_RNA) where: Base-Base interactions energy: -33.007 where: short stacking energy: -33.007 Base-Backbone interact. energy: -0.000 local terms energy: -37.874151 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -10.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -59.756928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.756928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.756928 (E_RNA) where: Base-Base interactions energy: -26.590 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.004 local terms energy: -33.163194 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.246 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.227 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: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -68.900975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.900975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.900975 (E_RNA) where: Base-Base interactions energy: -31.238 where: short stacking energy: -31.238 Base-Backbone interact. energy: -0.000 local terms energy: -37.663311 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -46.844203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.844203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.844203 (E_RNA) where: Base-Base interactions energy: -17.403 where: short stacking energy: -17.403 Base-Backbone interact. energy: -0.030 local terms energy: -29.411821 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -5.591 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: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -55.835796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.835796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.835796 (E_RNA) where: Base-Base interactions energy: -22.397 where: short stacking energy: -22.397 Base-Backbone interact. energy: -0.001 local terms energy: -33.438410 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -6.988 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: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -50.481278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.481278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.481278 (E_RNA) where: Base-Base interactions energy: -23.038 where: short stacking energy: -20.740 Base-Backbone interact. energy: -0.017 local terms energy: -27.426944 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -2.148 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: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -53.758884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.758884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.758884 (E_RNA) where: Base-Base interactions energy: -21.453 where: short stacking energy: -21.453 Base-Backbone interact. energy: -0.122 local terms energy: -32.183907 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.311 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -5.661 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: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -57.374732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.374732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.374732 (E_RNA) where: Base-Base interactions energy: -26.660 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.000 local terms energy: -30.714209 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -38.929377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929377 (E_RNA) where: Base-Base interactions energy: -13.342 where: short stacking energy: -13.342 Base-Backbone interact. energy: -0.124 local terms energy: -25.463310 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: 1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -43.947633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.947633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.947633 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.000 local terms energy: -30.315239 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -3.572 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: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -67.053047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.053047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.053047 (E_RNA) where: Base-Base interactions energy: -38.012 where: short stacking energy: -21.193 Base-Backbone interact. energy: -0.005 local terms energy: -29.036625 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -2.458 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: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -71.260506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.260506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.260506 (E_RNA) where: Base-Base interactions energy: -30.699 where: short stacking energy: -30.699 Base-Backbone interact. energy: -0.000 local terms energy: -40.561291 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -11.009 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: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -68.972083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.972083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.972083 (E_RNA) where: Base-Base interactions energy: -34.409 where: short stacking energy: -15.326 Base-Backbone interact. energy: -0.001 local terms energy: -34.561539 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -6.759 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: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -53.338310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.338310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.338310 (E_RNA) where: Base-Base interactions energy: -24.119 where: short stacking energy: -22.677 Base-Backbone interact. energy: -0.014 local terms energy: -29.205817 where: bonds (distance) C4'-P energy: -4.960 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -0.843 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -50.849433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.849433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.849433 (E_RNA) where: Base-Base interactions energy: -18.199 where: short stacking energy: -18.199 Base-Backbone interact. energy: -0.054 local terms energy: -32.596518 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -50.446921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.446921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.446921 (E_RNA) where: Base-Base interactions energy: -23.152 where: short stacking energy: -23.152 Base-Backbone interact. energy: -0.007 local terms energy: -27.287794 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -1.510 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -47.501906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.501906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.501906 (E_RNA) where: Base-Base interactions energy: -19.536 where: short stacking energy: -17.349 Base-Backbone interact. energy: -0.007 local terms energy: -27.959015 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.399 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: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -43.500921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.500921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.500921 (E_RNA) where: Base-Base interactions energy: -17.694 where: short stacking energy: -10.661 Base-Backbone interact. energy: -0.091 local terms energy: -25.715497 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -43.927752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.927752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.927752 (E_RNA) where: Base-Base interactions energy: -20.942 where: short stacking energy: -15.619 Base-Backbone interact. energy: -0.023 local terms energy: -22.963183 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -0.870 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -42.028555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.028555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.028555 (E_RNA) where: Base-Base interactions energy: -16.907 where: short stacking energy: -16.907 Base-Backbone interact. energy: -0.005 local terms energy: -25.116618 where: bonds (distance) C4'-P energy: -6.623 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -2.656 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: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -52.726167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.726167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.726167 (E_RNA) where: Base-Base interactions energy: -17.259 where: short stacking energy: -17.259 Base-Backbone interact. energy: -0.335 local terms energy: -35.131643 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -72.484386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.484386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.484386 (E_RNA) where: Base-Base interactions energy: -35.858 where: short stacking energy: -28.956 Base-Backbone interact. energy: -0.000 local terms energy: -36.626134 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -8.420 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: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -51.939181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.939181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.939181 (E_RNA) where: Base-Base interactions energy: -18.287 where: short stacking energy: -16.272 Base-Backbone interact. energy: -0.021 local terms energy: -33.631252 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -4.552 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: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -49.576915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.576915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.576915 (E_RNA) where: Base-Base interactions energy: -20.479 where: short stacking energy: -20.479 Base-Backbone interact. energy: -0.019 local terms energy: -29.078687 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -61.275292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.275292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.275292 (E_RNA) where: Base-Base interactions energy: -27.232 where: short stacking energy: -27.232 Base-Backbone interact. energy: -0.005 local terms energy: -34.038069 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -43.812564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.812564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.812564 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.105 local terms energy: -29.237952 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.938 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: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -45.334035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.334035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.334035 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -14.693 Base-Backbone interact. energy: -0.286 local terms energy: -29.044941 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.492 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: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -42.492068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.492068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.492068 (E_RNA) where: Base-Base interactions energy: -18.153 where: short stacking energy: -7.946 Base-Backbone interact. energy: 0.218 local terms energy: -24.557122 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: 0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -45.731752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.731752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.731752 (E_RNA) where: Base-Base interactions energy: -15.115 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.000 local terms energy: -30.616386 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -2.864 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: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -39.441912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.441912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.441912 (E_RNA) where: Base-Base interactions energy: -22.431 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.101 local terms energy: -16.909973 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.766 flat angles C4'-P-C4' energy: -2.508 flat angles P-C4'-P energy: -3.793 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: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -67.464501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.464501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.464501 (E_RNA) where: Base-Base interactions energy: -30.895 where: short stacking energy: -30.895 Base-Backbone interact. energy: -0.000 local terms energy: -36.569847 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -9.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -60.627536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.627536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.627536 (E_RNA) where: Base-Base interactions energy: -25.809 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.100 local terms energy: -34.718496 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -5.119 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: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -59.852083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.852083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.852083 (E_RNA) where: Base-Base interactions energy: -24.273 where: short stacking energy: -24.273 Base-Backbone interact. energy: -0.100 local terms energy: -35.479693 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -59.527429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.527429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.527429 (E_RNA) where: Base-Base interactions energy: -27.376 where: short stacking energy: -26.837 Base-Backbone interact. energy: -0.273 local terms energy: -31.878745 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -56.347726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.347726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.347726 (E_RNA) where: Base-Base interactions energy: -23.784 where: short stacking energy: -18.182 Base-Backbone interact. energy: -0.000 local terms energy: -32.563486 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -46.044696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.044696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.044696 (E_RNA) where: Base-Base interactions energy: -19.506 where: short stacking energy: -19.506 Base-Backbone interact. energy: -0.036 local terms energy: -26.502326 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -4.567 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -47.511571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.511571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.511571 (E_RNA) where: Base-Base interactions energy: -14.216 where: short stacking energy: -14.216 Base-Backbone interact. energy: -0.083 local terms energy: -33.212265 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -55.458954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.458954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.458954 (E_RNA) where: Base-Base interactions energy: -26.728 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.155 local terms energy: -28.575272 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -5.797 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: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -41.987007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.987007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.987007 (E_RNA) where: Base-Base interactions energy: -10.025 where: short stacking energy: -9.680 Base-Backbone interact. energy: 0.294 local terms energy: -32.255879 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -40.467907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.467907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.467907 (E_RNA) where: Base-Base interactions energy: -12.169 where: short stacking energy: -12.169 Base-Backbone interact. energy: -0.001 local terms energy: -28.297467 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -73.599986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.599986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.599986 (E_RNA) where: Base-Base interactions energy: -31.845 where: short stacking energy: -31.845 Base-Backbone interact. energy: -0.000 local terms energy: -41.755010 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -10.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -69.082937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.082937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.082937 (E_RNA) where: Base-Base interactions energy: -31.016 where: short stacking energy: -28.819 Base-Backbone interact. energy: -0.001 local terms energy: -38.065455 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -63.163188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.163188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.163188 (E_RNA) where: Base-Base interactions energy: -27.027 where: short stacking energy: -27.027 Base-Backbone interact. energy: -0.033 local terms energy: -36.102837 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -48.792372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.792372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.792372 (E_RNA) where: Base-Base interactions energy: -18.015 where: short stacking energy: -18.015 Base-Backbone interact. energy: -0.090 local terms energy: -30.687499 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -2.087 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: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -48.631039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.631039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.631039 (E_RNA) where: Base-Base interactions energy: -18.136 where: short stacking energy: -18.136 Base-Backbone interact. energy: -0.093 local terms energy: -30.402043 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -6.088 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: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -52.494653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.494653 (E_RNA) where: Base-Base interactions energy: -22.208 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.001 local terms energy: -30.286158 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -3.402 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: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -50.662993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.662993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.662993 (E_RNA) where: Base-Base interactions energy: -18.943 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.013 local terms energy: -31.706879 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -53.969411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.969411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.969411 (E_RNA) where: Base-Base interactions energy: -19.190 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -34.779582 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -5.720 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: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -44.179360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.179360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.179360 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.000 local terms energy: -28.337942 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -2.245 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: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -61.617477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.617477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.617477 (E_RNA) where: Base-Base interactions energy: -27.060 where: short stacking energy: -27.060 Base-Backbone interact. energy: -0.000 local terms energy: -34.557301 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -79.487306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.487306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.487306 (E_RNA) where: Base-Base interactions energy: -37.221 where: short stacking energy: -37.221 Base-Backbone interact. energy: -0.000 local terms energy: -42.265860 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -11.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -78.658940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.658940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.658940 (E_RNA) where: Base-Base interactions energy: -42.783 where: short stacking energy: -33.765 Base-Backbone interact. energy: -0.006 local terms energy: -35.869762 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -6.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -58.353670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.353670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.353670 (E_RNA) where: Base-Base interactions energy: -21.999 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.000 local terms energy: -36.354825 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -7.524 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: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -52.312629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.312629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.312629 (E_RNA) where: Base-Base interactions energy: -19.711 where: short stacking energy: -19.711 Base-Backbone interact. energy: -0.014 local terms energy: -32.588313 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -53.566991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.566991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.566991 (E_RNA) where: Base-Base interactions energy: -24.131 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.027 local terms energy: -29.409340 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -5.190 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: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -53.092172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.092172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.092172 (E_RNA) where: Base-Base interactions energy: -21.376 where: short stacking energy: -21.000 Base-Backbone interact. energy: -0.103 local terms energy: -31.614054 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -45.072412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.072412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.072412 (E_RNA) where: Base-Base interactions energy: -16.103 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.006 local terms energy: -28.963788 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.275 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: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -49.895060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.895060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.895060 (E_RNA) where: Base-Base interactions energy: -22.856 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.021 local terms energy: -27.017258 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -2.783 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -3.232 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -44.304541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.304541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.304541 (E_RNA) where: Base-Base interactions energy: -17.328 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.081 local terms energy: -26.895260 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -5.533 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: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -36.726650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726650 (E_RNA) where: Base-Base interactions energy: -17.124 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.021 local terms energy: -19.581265 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -4.368 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: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -70.580612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.580612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.580612 (E_RNA) where: Base-Base interactions energy: -32.704 where: short stacking energy: -28.849 Base-Backbone interact. energy: -0.000 local terms energy: -37.876420 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -70.168302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.168302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.168302 (E_RNA) where: Base-Base interactions energy: -37.665 where: short stacking energy: -22.449 Base-Backbone interact. energy: -0.000 local terms energy: -32.503273 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -3.398 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: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -56.101793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.101793 (E_RNA) where: Base-Base interactions energy: -26.644 where: short stacking energy: -25.169 Base-Backbone interact. energy: -0.033 local terms energy: -29.425610 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -61.680036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.680036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.680036 (E_RNA) where: Base-Base interactions energy: -26.309 where: short stacking energy: -26.309 Base-Backbone interact. energy: -0.000 local terms energy: -35.371304 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -6.975 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: 266 Temperature: 1.100000 Total energy: -50.406463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.406463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.406463 (E_RNA) where: Base-Base interactions energy: -15.174 where: short stacking energy: -15.174 Base-Backbone interact. energy: -0.001 local terms energy: -35.231773 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -5.805 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: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -46.952211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.952211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.952211 (E_RNA) where: Base-Base interactions energy: -15.892 where: short stacking energy: -14.743 Base-Backbone interact. energy: -0.028 local terms energy: -31.032412 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -49.989402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.989402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.989402 (E_RNA) where: Base-Base interactions energy: -21.702 where: short stacking energy: -18.205 Base-Backbone interact. energy: -0.101 local terms energy: -28.186839 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -0.938 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: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -57.204986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.204986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.204986 (E_RNA) where: Base-Base interactions energy: -26.152 where: short stacking energy: -26.152 Base-Backbone interact. energy: -0.000 local terms energy: -31.052420 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -50.718250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.718250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.718250 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -19.087 Base-Backbone interact. energy: -0.006 local terms energy: -30.513114 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 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: -17.017 where: short stacking energy: -16.856 Base-Backbone interact. energy: -0.087 local terms energy: -25.320985 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -3.289 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -68.857985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.857985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.857985 (E_RNA) where: Base-Base interactions energy: -30.034 where: short stacking energy: -30.034 Base-Backbone interact. energy: -0.000 local terms energy: -38.824451 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -55.506757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.506757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.506757 (E_RNA) where: Base-Base interactions energy: -24.931 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.106 local terms energy: -30.469847 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.792 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: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -60.146760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.146760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.146760 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -25.181 Base-Backbone interact. energy: -0.002 local terms energy: -34.963671 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -67.453084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.453084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.453084 (E_RNA) where: Base-Base interactions energy: -34.374 where: short stacking energy: -20.720 Base-Backbone interact. energy: -0.002 local terms energy: -33.077052 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -52.940241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.940241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.940241 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.000 local terms energy: -29.734700 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -52.154370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.154370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.154370 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.006 local terms energy: -33.158462 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -57.245196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.245196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.245196 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.017 local terms energy: -35.565261 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -7.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -46.270109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.270109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.270109 (E_RNA) where: Base-Base interactions energy: -15.688 where: short stacking energy: -15.688 Base-Backbone interact. energy: -0.001 local terms energy: -30.580965 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -43.687734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.687734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.687734 (E_RNA) where: Base-Base interactions energy: -19.641 where: short stacking energy: -5.178 Base-Backbone interact. energy: 0.642 local terms energy: -24.688571 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: 1.591 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: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -42.450950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.450950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.450950 (E_RNA) where: Base-Base interactions energy: -16.461 where: short stacking energy: -16.116 Base-Backbone interact. energy: -0.000 local terms energy: -25.990058 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.579 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -63.499757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.499757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.499757 (E_RNA) where: Base-Base interactions energy: -27.467 where: short stacking energy: -27.467 Base-Backbone interact. energy: -0.011 local terms energy: -36.021657 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -66.466411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.466411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.466411 (E_RNA) where: Base-Base interactions energy: -33.477 where: short stacking energy: -29.985 Base-Backbone interact. energy: -0.003 local terms energy: -32.987053 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -6.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -63.910970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.910970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.910970 (E_RNA) where: Base-Base interactions energy: -31.949 where: short stacking energy: -31.949 Base-Backbone interact. energy: -0.000 local terms energy: -31.961496 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -64.103324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.103324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.103324 (E_RNA) where: Base-Base interactions energy: -27.013 where: short stacking energy: -27.013 Base-Backbone interact. energy: -0.000 local terms energy: -37.090032 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -58.124447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.124447 (E_RNA) where: Base-Base interactions energy: -25.317 where: short stacking energy: -25.230 Base-Backbone interact. energy: -0.068 local terms energy: -32.739696 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -43.662539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.662539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.662539 (E_RNA) where: Base-Base interactions energy: -18.018 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.028 local terms energy: -25.616434 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -4.733 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: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -53.360261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.360261 (E_RNA) where: Base-Base interactions energy: -24.909 where: short stacking energy: -16.499 Base-Backbone interact. energy: -0.000 local terms energy: -28.451062 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.142 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -46.591766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.591766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.591766 (E_RNA) where: Base-Base interactions energy: -19.810 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.016 local terms energy: -26.766023 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.957 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -46.692457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.692457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.692457 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.193 local terms energy: -30.430535 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -5.794 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: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -42.115282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.115282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.115282 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -8.832 Base-Backbone interact. energy: -0.041 local terms energy: -28.100629 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -4.084 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: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -62.091559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.091559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.091559 (E_RNA) where: Base-Base interactions energy: -28.095 where: short stacking energy: -21.751 Base-Backbone interact. energy: -0.028 local terms energy: -33.967797 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -50.650535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.650535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.650535 (E_RNA) where: Base-Base interactions energy: -18.336 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.542 local terms energy: -31.772671 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -54.425702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.425702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.425702 (E_RNA) where: Base-Base interactions energy: -21.417 where: short stacking energy: -21.417 Base-Backbone interact. energy: -0.073 local terms energy: -32.936476 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -6.332 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: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -59.761550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.761550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.761550 (E_RNA) where: Base-Base interactions energy: -22.380 where: short stacking energy: -22.380 Base-Backbone interact. energy: -0.016 local terms energy: -37.365690 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -49.481058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.481058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.481058 (E_RNA) where: Base-Base interactions energy: -19.069 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.001 local terms energy: -30.411450 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -5.203 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: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -50.964349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.964349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.964349 (E_RNA) where: Base-Base interactions energy: -26.470 where: short stacking energy: -26.095 Base-Backbone interact. energy: -0.007 local terms energy: -24.487470 where: bonds (distance) C4'-P energy: -3.710 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -49.763179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.763179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.763179 (E_RNA) where: Base-Base interactions energy: -20.642 where: short stacking energy: -20.642 Base-Backbone interact. energy: -0.004 local terms energy: -29.116588 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -6.249 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: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -42.605932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.605932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.605932 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.000 local terms energy: -28.972162 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -47.263619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.263619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.263619 (E_RNA) where: Base-Base interactions energy: -15.960 where: short stacking energy: -15.960 Base-Backbone interact. energy: -0.010 local terms energy: -31.293007 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -3.014 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: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -40.742379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.742379 (E_RNA) where: Base-Base interactions energy: -17.383 where: short stacking energy: -17.383 Base-Backbone interact. energy: -0.000 local terms energy: -23.359404 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -56.324899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.324899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.324899 (E_RNA) where: Base-Base interactions energy: -21.151 where: short stacking energy: -21.151 Base-Backbone interact. energy: -0.022 local terms energy: -35.151574 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -60.547012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.547012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.547012 (E_RNA) where: Base-Base interactions energy: -26.120 where: short stacking energy: -25.313 Base-Backbone interact. energy: -0.000 local terms energy: -34.426977 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -5.386 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: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -67.263259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.263259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.263259 (E_RNA) where: Base-Base interactions energy: -39.569 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.248 local terms energy: -27.445956 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -3.591 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: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -54.969602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.969602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.969602 (E_RNA) where: Base-Base interactions energy: -23.947 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.130 local terms energy: -30.892457 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -5.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -52.976732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.976732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.976732 (E_RNA) where: Base-Base interactions energy: -28.105 where: short stacking energy: -20.474 Base-Backbone interact. energy: -0.029 local terms energy: -24.843285 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -46.628108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.628108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.628108 (E_RNA) where: Base-Base interactions energy: -15.771 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.021 local terms energy: -30.835960 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -47.722960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.722960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.722960 (E_RNA) where: Base-Base interactions energy: -17.926 where: short stacking energy: -17.926 Base-Backbone interact. energy: -0.049 local terms energy: -29.748294 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -46.293173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.293173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.293173 (E_RNA) where: Base-Base interactions energy: -21.730 where: short stacking energy: -21.730 Base-Backbone interact. energy: -0.003 local terms energy: -24.560742 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -38.395509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.395509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.395509 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.400 Base-Backbone interact. energy: 0.018 local terms energy: -30.934525 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -42.586198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.586198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.586198 (E_RNA) where: Base-Base interactions energy: -16.996 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.150 local terms energy: -25.440688 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -58.168604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.168604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.168604 (E_RNA) where: Base-Base interactions energy: -23.419 where: short stacking energy: -23.029 Base-Backbone interact. energy: -0.070 local terms energy: -34.679389 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -66.554042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.554042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.554042 (E_RNA) where: Base-Base interactions energy: -42.270 where: short stacking energy: -16.314 Base-Backbone interact. energy: -0.828 local terms energy: -23.456219 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -5.914 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: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -64.571006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.571006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.571006 (E_RNA) where: Base-Base interactions energy: -33.697 where: short stacking energy: -33.697 Base-Backbone interact. energy: -0.001 local terms energy: -30.873402 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -58.905241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.905241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.905241 (E_RNA) where: Base-Base interactions energy: -28.184 where: short stacking energy: -28.184 Base-Backbone interact. energy: -0.062 local terms energy: -30.659356 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -9.569 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: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -56.335933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.335933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.335933 (E_RNA) where: Base-Base interactions energy: -22.806 where: short stacking energy: -22.806 Base-Backbone interact. energy: -0.000 local terms energy: -33.530108 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -47.554919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.554919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.554919 (E_RNA) where: Base-Base interactions energy: -20.365 where: short stacking energy: -12.112 Base-Backbone interact. energy: 0.377 local terms energy: -27.567258 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -43.263637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.263637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.263637 (E_RNA) where: Base-Base interactions energy: -20.313 where: short stacking energy: -19.151 Base-Backbone interact. energy: 0.098 local terms energy: -23.048606 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -46.699139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.699139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.699139 (E_RNA) where: Base-Base interactions energy: -17.603 where: short stacking energy: -17.603 Base-Backbone interact. energy: -0.000 local terms energy: -29.096349 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -40.463277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.463277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.463277 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.078 local terms energy: -25.766342 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -43.974768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.974768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.974768 (E_RNA) where: Base-Base interactions energy: -22.061 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.162 local terms energy: -21.751743 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -7.311 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -1.792 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: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -70.734543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.734543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.734543 (E_RNA) where: Base-Base interactions energy: -29.718 where: short stacking energy: -29.718 Base-Backbone interact. energy: -0.000 local terms energy: -41.016491 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -10.434 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: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -58.994964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.994964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.994964 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.000 local terms energy: -35.799369 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -6.260 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -71.652694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.652694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.652694 (E_RNA) where: Base-Base interactions energy: -34.372 where: short stacking energy: -34.372 Base-Backbone interact. energy: -0.000 local terms energy: -37.280420 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -9.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -50.987120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.987120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.987120 (E_RNA) where: Base-Base interactions energy: -18.620 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.000 local terms energy: -32.366884 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -6.772 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: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -51.929419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.929419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.929419 (E_RNA) where: Base-Base interactions energy: -21.069 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.026 local terms energy: -30.833788 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -46.334214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.334214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.334214 (E_RNA) where: Base-Base interactions energy: -19.919 where: short stacking energy: -19.919 Base-Backbone interact. energy: -0.018 local terms energy: -26.397399 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -46.124230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.124230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.124230 (E_RNA) where: Base-Base interactions energy: -18.041 where: short stacking energy: -18.041 Base-Backbone interact. energy: -0.125 local terms energy: -27.958915 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -5.341 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: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -44.337192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.337192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.337192 (E_RNA) where: Base-Base interactions energy: -15.957 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.002 local terms energy: -28.378837 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -44.534504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.534504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.534504 (E_RNA) where: Base-Base interactions energy: -16.758 where: short stacking energy: -16.758 Base-Backbone interact. energy: -0.000 local terms energy: -27.776568 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -0.832 tors. eta vs tors. theta energy: -5.885 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: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -43.366378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.366378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.366378 (E_RNA) where: Base-Base interactions energy: -21.354 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.054 local terms energy: -21.958209 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: 0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -65.071363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.071363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.071363 (E_RNA) where: Base-Base interactions energy: -27.177 where: short stacking energy: -17.336 Base-Backbone interact. energy: -0.027 local terms energy: -37.867310 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -65.879427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.879427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.879427 (E_RNA) where: Base-Base interactions energy: -28.000 where: short stacking energy: -28.000 Base-Backbone interact. energy: -0.000 local terms energy: -37.879125 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -63.909974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.909974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.909974 (E_RNA) where: Base-Base interactions energy: -28.378 where: short stacking energy: -26.741 Base-Backbone interact. energy: -0.001 local terms energy: -35.530906 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -9.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -57.433102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.433102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.433102 (E_RNA) where: Base-Base interactions energy: -22.569 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.008 local terms energy: -34.856808 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -4.094 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: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -58.805335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.805335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.805335 (E_RNA) where: Base-Base interactions energy: -26.482 where: short stacking energy: -26.482 Base-Backbone interact. energy: -0.006 local terms energy: -32.316866 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -48.687113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.687113 (E_RNA) where: Base-Base interactions energy: -20.542 where: short stacking energy: -20.542 Base-Backbone interact. energy: -0.031 local terms energy: -28.114271 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -4.143 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: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -56.188922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.188922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.188922 (E_RNA) where: Base-Base interactions energy: -21.221 where: short stacking energy: -21.167 Base-Backbone interact. energy: -0.013 local terms energy: -34.954421 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -39.324651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.324651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.324651 (E_RNA) where: Base-Base interactions energy: -7.769 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.000 local terms energy: -31.555362 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -42.788113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.788113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.788113 (E_RNA) where: Base-Base interactions energy: -13.436 where: short stacking energy: -10.087 Base-Backbone interact. energy: -0.100 local terms energy: -29.251979 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -4.550 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: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -42.427620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.427620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.427620 (E_RNA) where: Base-Base interactions energy: -17.660 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.137 local terms energy: -24.630196 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: 0.466 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: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -84.012195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.012195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.012195 (E_RNA) where: Base-Base interactions energy: -47.187 where: short stacking energy: -31.329 Base-Backbone interact. energy: -0.015 local terms energy: -36.809972 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -6.651 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: 274 Temperature: 0.950000 Total energy: -64.965816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.965816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.965816 (E_RNA) where: Base-Base interactions energy: -34.079 where: short stacking energy: -26.653 Base-Backbone interact. energy: -0.000 local terms energy: -30.886277 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -2.670 flat angles P-C4'-P energy: -6.255 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: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -64.668967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.668967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.668967 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -14.376 Base-Backbone interact. energy: -0.094 local terms energy: -33.378790 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.970 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: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -52.175072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.175072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.175072 (E_RNA) where: Base-Base interactions energy: -25.737 where: short stacking energy: -25.737 Base-Backbone interact. energy: 0.068 local terms energy: -26.505455 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -53.232637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.232637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.232637 (E_RNA) where: Base-Base interactions energy: -24.372 where: short stacking energy: -17.305 Base-Backbone interact. energy: -0.000 local terms energy: -28.860016 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -3.059 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: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -53.985190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.985190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.985190 (E_RNA) where: Base-Base interactions energy: -24.910 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.004 local terms energy: -29.071351 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -50.534503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.534503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.534503 (E_RNA) where: Base-Base interactions energy: -20.566 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.001 local terms energy: -29.966853 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -5.416 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: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -45.493627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.493627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.493627 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -13.332 Base-Backbone interact. energy: -0.001 local terms energy: -32.160628 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -43.716820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.716820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.716820 (E_RNA) where: Base-Base interactions energy: -18.709 where: short stacking energy: -18.709 Base-Backbone interact. energy: -0.080 local terms energy: -24.927623 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -2.688 flat angles P-C4'-P energy: -4.886 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: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -41.245096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.245096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.245096 (E_RNA) where: Base-Base interactions energy: -14.127 where: short stacking energy: -14.127 Base-Backbone interact. energy: -0.000 local terms energy: -27.117588 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -3.629 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -84.586782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.586782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.586782 (E_RNA) where: Base-Base interactions energy: -48.594 where: short stacking energy: -30.673 Base-Backbone interact. energy: -0.000 local terms energy: -35.993099 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -73.252985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.252985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.252985 (E_RNA) where: Base-Base interactions energy: -30.559 where: short stacking energy: -30.559 Base-Backbone interact. energy: -0.000 local terms energy: -42.693697 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -11.293 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: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -57.300477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.300477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.300477 (E_RNA) where: Base-Base interactions energy: -22.444 where: short stacking energy: -22.444 Base-Backbone interact. energy: -0.066 local terms energy: -34.790138 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -55.310132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.310132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.310132 (E_RNA) where: Base-Base interactions energy: -23.717 where: short stacking energy: -23.717 Base-Backbone interact. energy: 0.275 local terms energy: -31.868105 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -4.564 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: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -45.968101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.968101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.968101 (E_RNA) where: Base-Base interactions energy: -22.091 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.787 local terms energy: -23.090328 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -1.129 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: 275 Temperature: 1.150000 Total energy: -48.059681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.059681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.059681 (E_RNA) where: Base-Base interactions energy: -17.778 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.005 local terms energy: -30.276392 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -48.107030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.107030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.107030 (E_RNA) where: Base-Base interactions energy: -21.601 where: short stacking energy: -20.969 Base-Backbone interact. energy: -0.062 local terms energy: -26.444599 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -51.192294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.192294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.192294 (E_RNA) where: Base-Base interactions energy: -19.848 where: short stacking energy: -19.848 Base-Backbone interact. energy: -0.000 local terms energy: -31.344393 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -54.929393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.929393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.929393 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -23.106 Base-Backbone interact. energy: -0.399 local terms energy: -30.862421 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -36.339997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.339997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.339997 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.115 local terms energy: -26.644287 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -4.802 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: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -70.770403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.770403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.770403 (E_RNA) where: Base-Base interactions energy: -30.930 where: short stacking energy: -26.545 Base-Backbone interact. energy: -1.282 local terms energy: -38.558555 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -8.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -72.158899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.158899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.158899 (E_RNA) where: Base-Base interactions energy: -43.120 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.069 local terms energy: -28.969996 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: 1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -70.983589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.983589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.983589 (E_RNA) where: Base-Base interactions energy: -32.680 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.001 local terms energy: -38.302742 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -65.048418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.048418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.048418 (E_RNA) where: Base-Base interactions energy: -33.073 where: short stacking energy: -13.747 Base-Backbone interact. energy: -0.019 local terms energy: -31.957070 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -5.453 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: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -51.909124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.909124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.909124 (E_RNA) where: Base-Base interactions energy: -23.661 where: short stacking energy: -20.531 Base-Backbone interact. energy: -0.079 local terms energy: -28.169080 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.339 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -1.749 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -50.329661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.329661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.329661 (E_RNA) where: Base-Base interactions energy: -16.710 where: short stacking energy: -16.710 Base-Backbone interact. energy: -0.093 local terms energy: -33.526974 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -49.950745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.950745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.950745 (E_RNA) where: Base-Base interactions energy: -21.637 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.065 local terms energy: -28.248994 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -3.789 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: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -57.811485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.811485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.811485 (E_RNA) where: Base-Base interactions energy: -25.541 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.005 local terms energy: -32.265596 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -45.960570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.960570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.960570 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.376 local terms energy: -26.951417 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -43.948058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.948058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.948058 (E_RNA) where: Base-Base interactions energy: -14.075 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.092 local terms energy: -29.781287 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -74.088509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.088509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.088509 (E_RNA) where: Base-Base interactions energy: -39.151 where: short stacking energy: -28.202 Base-Backbone interact. energy: -0.006 local terms energy: -34.931221 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -4.499 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: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -70.331037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.331037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.331037 (E_RNA) where: Base-Base interactions energy: -41.159 where: short stacking energy: -15.470 Base-Backbone interact. energy: -0.620 local terms energy: -28.552315 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.372 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: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -55.333560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.333560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.333560 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -20.433 Base-Backbone interact. energy: -0.069 local terms energy: -35.431124 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -7.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -51.090935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.090935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.090935 (E_RNA) where: Base-Base interactions energy: -23.373 where: short stacking energy: -23.373 Base-Backbone interact. energy: -0.011 local terms energy: -27.707315 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.597 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: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -65.082603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.082603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.082603 (E_RNA) where: Base-Base interactions energy: -36.028 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.009 local terms energy: -29.044799 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -3.157 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: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -43.728590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.728590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.728590 (E_RNA) where: Base-Base interactions energy: -14.231 where: short stacking energy: -14.231 Base-Backbone interact. energy: -0.019 local terms energy: -29.477888 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -55.120589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.120589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.120589 (E_RNA) where: Base-Base interactions energy: -23.949 where: short stacking energy: -23.949 Base-Backbone interact. energy: -0.001 local terms energy: -31.171445 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -1.191 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -49.745378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.745378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.745378 (E_RNA) where: Base-Base interactions energy: -21.922 where: short stacking energy: -21.922 Base-Backbone interact. energy: -0.000 local terms energy: -27.822768 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -5.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -46.346843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.346843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.346843 (E_RNA) where: Base-Base interactions energy: -20.552 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.004 local terms energy: -25.791000 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -6.425 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: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -38.643655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.643655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.643655 (E_RNA) where: Base-Base interactions energy: -12.438 where: short stacking energy: -12.438 Base-Backbone interact. energy: -0.006 local terms energy: -26.199694 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -66.807080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.807080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.807080 (E_RNA) where: Base-Base interactions energy: -26.488 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.000 local terms energy: -40.319221 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -9.109 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -61.691597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.691597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.691597 (E_RNA) where: Base-Base interactions energy: -25.313 where: short stacking energy: -25.313 Base-Backbone interact. energy: -0.001 local terms energy: -36.377377 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -68.847624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.847624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.847624 (E_RNA) where: Base-Base interactions energy: -32.103 where: short stacking energy: -32.103 Base-Backbone interact. energy: -0.000 local terms energy: -36.744702 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -50.158988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.158988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.158988 (E_RNA) where: Base-Base interactions energy: -25.141 where: short stacking energy: -25.141 Base-Backbone interact. energy: -0.003 local terms energy: -25.015300 where: bonds (distance) C4'-P energy: -3.336 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -52.051230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.051230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.051230 (E_RNA) where: Base-Base interactions energy: -20.406 where: short stacking energy: -17.914 Base-Backbone interact. energy: -0.173 local terms energy: -31.471496 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.126 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: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -61.017096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.017096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.017096 (E_RNA) where: Base-Base interactions energy: -29.238 where: short stacking energy: -22.344 Base-Backbone interact. energy: -0.001 local terms energy: -31.777930 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -4.659 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: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -43.915195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.915195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.915195 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.082 local terms energy: -31.826593 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.512 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: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -49.711621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.711621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.711621 (E_RNA) where: Base-Base interactions energy: -21.835 where: short stacking energy: -21.835 Base-Backbone interact. energy: -0.028 local terms energy: -27.848519 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -6.420 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: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -40.012950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.012950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.012950 (E_RNA) where: Base-Base interactions energy: -11.730 where: short stacking energy: -11.627 Base-Backbone interact. energy: -0.068 local terms energy: -28.215218 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -1.103 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -52.239490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.239490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.239490 (E_RNA) where: Base-Base interactions energy: -25.110 where: short stacking energy: -17.319 Base-Backbone interact. energy: -0.488 local terms energy: -26.641373 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -5.645 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -65.988299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.988299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.988299 (E_RNA) where: Base-Base interactions energy: -32.907 where: short stacking energy: -24.270 Base-Backbone interact. energy: -0.000 local terms energy: -33.081003 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -61.060061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.060061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.060061 (E_RNA) where: Base-Base interactions energy: -24.930 where: short stacking energy: -24.930 Base-Backbone interact. energy: -0.100 local terms energy: -36.030308 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.606 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: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -64.208146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.208146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.208146 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.000 local terms energy: -35.679029 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -64.400745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.400745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.400745 (E_RNA) where: Base-Base interactions energy: -32.736 where: short stacking energy: -21.745 Base-Backbone interact. energy: 0.132 local terms energy: -31.796517 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -46.413796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.413796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.413796 (E_RNA) where: Base-Base interactions energy: -19.042 where: short stacking energy: -19.042 Base-Backbone interact. energy: -0.067 local terms energy: -27.304603 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -6.137 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: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -52.620382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.620382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.620382 (E_RNA) where: Base-Base interactions energy: -24.362 where: short stacking energy: -24.362 Base-Backbone interact. energy: -0.001 local terms energy: -28.256897 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -2.379 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: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -55.550006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.550006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.550006 (E_RNA) where: Base-Base interactions energy: -22.237 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.002 local terms energy: -33.311178 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -44.644919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.644919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.644919 (E_RNA) where: Base-Base interactions energy: -16.664 where: short stacking energy: -16.664 Base-Backbone interact. energy: -0.019 local terms energy: -27.961535 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -42.730907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.730907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.730907 (E_RNA) where: Base-Base interactions energy: -16.002 where: short stacking energy: -16.002 Base-Backbone interact. energy: -0.032 local terms energy: -26.696333 where: bonds (distance) C4'-P energy: -3.592 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -45.102385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.102385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.102385 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.315 local terms energy: -22.973105 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -3.632 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: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -60.578555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.578555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.578555 (E_RNA) where: Base-Base interactions energy: -25.032 where: short stacking energy: -25.032 Base-Backbone interact. energy: -0.009 local terms energy: -35.538270 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -3.860 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: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -70.630825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.630825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.630825 (E_RNA) where: Base-Base interactions energy: -38.529 where: short stacking energy: -27.983 Base-Backbone interact. energy: -0.066 local terms energy: -32.035982 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -1.040 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: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -56.775706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.775706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.775706 (E_RNA) where: Base-Base interactions energy: -21.821 where: short stacking energy: -21.821 Base-Backbone interact. energy: 0.599 local terms energy: -35.553707 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -5.753 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: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -59.719011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.719011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.719011 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.000 local terms energy: -37.728765 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.502 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: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -59.851827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.851827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.851827 (E_RNA) where: Base-Base interactions energy: -25.449 where: short stacking energy: -23.609 Base-Backbone interact. energy: -0.000 local terms energy: -34.403098 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -3.932 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: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -52.377811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.377811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.377811 (E_RNA) where: Base-Base interactions energy: -20.602 where: short stacking energy: -20.602 Base-Backbone interact. energy: -0.046 local terms energy: -31.729380 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -5.745 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: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -49.847157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.847157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.847157 (E_RNA) where: Base-Base interactions energy: -18.791 where: short stacking energy: -18.791 Base-Backbone interact. energy: -0.116 local terms energy: -30.939997 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -1.316 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -46.633784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.633784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.633784 (E_RNA) where: Base-Base interactions energy: -24.923 where: short stacking energy: -17.896 Base-Backbone interact. energy: -0.035 local terms energy: -21.675637 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -44.315687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.315687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.315687 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.854 Base-Backbone interact. energy: -0.291 local terms energy: -27.110439 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -37.856126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856126 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.103 local terms energy: -26.260557 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -5.322 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: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -62.941318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.941318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.941318 (E_RNA) where: Base-Base interactions energy: -27.202 where: short stacking energy: -26.825 Base-Backbone interact. energy: -0.002 local terms energy: -35.737912 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -5.967 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: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -57.776917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.776917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.776917 (E_RNA) where: Base-Base interactions energy: -22.346 where: short stacking energy: -22.346 Base-Backbone interact. energy: -0.008 local terms energy: -35.422466 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -50.495903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.495903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.495903 (E_RNA) where: Base-Base interactions energy: -19.852 where: short stacking energy: -16.840 Base-Backbone interact. energy: -0.001 local terms energy: -30.642957 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -59.500123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.500123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.500123 (E_RNA) where: Base-Base interactions energy: -31.258 where: short stacking energy: -16.097 Base-Backbone interact. energy: -0.000 local terms energy: -28.241455 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -47.663083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663083 (E_RNA) where: Base-Base interactions energy: -15.663 where: short stacking energy: -6.584 Base-Backbone interact. energy: -0.197 local terms energy: -31.803499 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -6.740 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: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -47.554682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.554682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.554682 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.000 local terms energy: -29.307376 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -5.618 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: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -44.179208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.179208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.179208 (E_RNA) where: Base-Base interactions energy: -14.221 where: short stacking energy: -14.221 Base-Backbone interact. energy: -0.182 local terms energy: -29.776285 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.783 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: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -45.954484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.954484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.954484 (E_RNA) where: Base-Base interactions energy: -21.023 where: short stacking energy: -17.553 Base-Backbone interact. energy: -0.121 local terms energy: -24.810604 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.903 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -40.039693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.039693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.039693 (E_RNA) where: Base-Base interactions energy: -16.107 where: short stacking energy: -16.107 Base-Backbone interact. energy: -0.089 local terms energy: -23.844049 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -40.771506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.771506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.771506 (E_RNA) where: Base-Base interactions energy: -16.247 where: short stacking energy: -16.247 Base-Backbone interact. energy: -0.195 local terms energy: -24.330435 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.471 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -68.917211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.917211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.917211 (E_RNA) where: Base-Base interactions energy: -32.234 where: short stacking energy: -32.234 Base-Backbone interact. energy: -0.000 local terms energy: -36.683023 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -8.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -62.894204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.894204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.894204 (E_RNA) where: Base-Base interactions energy: -27.211 where: short stacking energy: -27.211 Base-Backbone interact. energy: -0.108 local terms energy: -35.575441 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -5.660 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: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -73.435574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.435574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.435574 (E_RNA) where: Base-Base interactions energy: -38.218 where: short stacking energy: -31.015 Base-Backbone interact. energy: -0.229 local terms energy: -34.988085 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -7.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -58.543217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.543217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.543217 (E_RNA) where: Base-Base interactions energy: -25.419 where: short stacking energy: -25.419 Base-Backbone interact. energy: -0.101 local terms energy: -33.022955 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -46.752746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.752746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.752746 (E_RNA) where: Base-Base interactions energy: -20.610 where: short stacking energy: -20.610 Base-Backbone interact. energy: -0.605 local terms energy: -25.537497 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -2.487 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -49.173478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.173478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.173478 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -16.826 Base-Backbone interact. energy: -0.010 local terms energy: -32.171254 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -39.896804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.896804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.896804 (E_RNA) where: Base-Base interactions energy: -13.523 where: short stacking energy: -10.347 Base-Backbone interact. energy: -0.527 local terms energy: -25.846355 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -44.743972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743972 (E_RNA) where: Base-Base interactions energy: -18.262 where: short stacking energy: -18.262 Base-Backbone interact. energy: -0.037 local terms energy: -26.444263 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -44.571869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.571869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.571869 (E_RNA) where: Base-Base interactions energy: -16.887 where: short stacking energy: -10.199 Base-Backbone interact. energy: 2.096 local terms energy: -29.780970 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -39.362362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.362362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.362362 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.128 local terms energy: -25.239189 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -1.722 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: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -82.758555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.758555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.758555 (E_RNA) where: Base-Base interactions energy: -45.033 where: short stacking energy: -21.251 Base-Backbone interact. energy: -0.002 local terms energy: -37.723203 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -69.429723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.429723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.429723 (E_RNA) where: Base-Base interactions energy: -37.870 where: short stacking energy: -27.176 Base-Backbone interact. energy: -0.010 local terms energy: -31.549476 where: bonds (distance) C4'-P energy: -7.725 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -62.509273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.509273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.509273 (E_RNA) where: Base-Base interactions energy: -27.816 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.001 local terms energy: -34.692310 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -5.471 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: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -48.639556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.639556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.639556 (E_RNA) where: Base-Base interactions energy: -19.169 where: short stacking energy: -18.995 Base-Backbone interact. energy: 1.056 local terms energy: -30.526884 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -46.722545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.722545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.722545 (E_RNA) where: Base-Base interactions energy: -17.002 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.020 local terms energy: -29.700713 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -6.928 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: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -54.592035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.592035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.592035 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.636 Base-Backbone interact. energy: -0.030 local terms energy: -28.925882 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -0.840 tors. eta vs tors. theta energy: -8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -55.651437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.651437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.651437 (E_RNA) where: Base-Base interactions energy: -23.495 where: short stacking energy: -23.495 Base-Backbone interact. energy: -0.001 local terms energy: -32.155571 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.402 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: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -54.096485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.096485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.096485 (E_RNA) where: Base-Base interactions energy: -28.451 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.104 local terms energy: -25.541475 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -45.303033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.303033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.303033 (E_RNA) where: Base-Base interactions energy: -17.183 where: short stacking energy: -17.183 Base-Backbone interact. energy: -0.000 local terms energy: -28.119219 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -3.913 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: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -48.420693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.420693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.420693 (E_RNA) where: Base-Base interactions energy: -24.140 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.149 local terms energy: -24.131591 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -87.127868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.127868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.127868 (E_RNA) where: Base-Base interactions energy: -52.441 where: short stacking energy: -24.691 Base-Backbone interact. energy: -0.884 local terms energy: -33.803165 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -76.250062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.250062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.250062 (E_RNA) where: Base-Base interactions energy: -41.576 where: short stacking energy: -27.847 Base-Backbone interact. energy: -0.040 local terms energy: -34.633648 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -6.441 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: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -53.600055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.600055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.600055 (E_RNA) where: Base-Base interactions energy: -20.424 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.099 local terms energy: -33.077717 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -4.153 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: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -54.454097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.454097 (E_RNA) where: Base-Base interactions energy: -21.612 where: short stacking energy: -21.612 Base-Backbone interact. energy: -0.000 local terms energy: -32.842460 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -6.326 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: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -57.995592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.995592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.995592 (E_RNA) where: Base-Base interactions energy: -32.662 where: short stacking energy: -20.508 Base-Backbone interact. energy: -0.002 local terms energy: -25.331881 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -3.202 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: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -48.279494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.279494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.279494 (E_RNA) where: Base-Base interactions energy: -19.339 where: short stacking energy: -19.339 Base-Backbone interact. energy: -0.021 local terms energy: -28.919558 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -51.740390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.740390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.740390 (E_RNA) where: Base-Base interactions energy: -24.021 where: short stacking energy: -24.021 Base-Backbone interact. energy: -0.000 local terms energy: -27.719672 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -41.912154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.912154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.912154 (E_RNA) where: Base-Base interactions energy: -14.875 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.092 local terms energy: -26.945523 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -42.128361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.128361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.128361 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -16.977 Base-Backbone interact. energy: -0.018 local terms energy: -25.132620 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -39.941434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.941434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.941434 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -13.705 Base-Backbone interact. energy: -0.027 local terms energy: -26.209506 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -77.311205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.311205 (E_RNA) where: Base-Base interactions energy: -39.423 where: short stacking energy: -35.304 Base-Backbone interact. energy: -0.001 local terms energy: -37.887399 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -59.329272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.329272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.329272 (E_RNA) where: Base-Base interactions energy: -23.972 where: short stacking energy: -23.972 Base-Backbone interact. energy: -0.000 local terms energy: -35.357180 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -72.018257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.018257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.018257 (E_RNA) where: Base-Base interactions energy: -41.633 where: short stacking energy: -18.862 Base-Backbone interact. energy: -0.776 local terms energy: -29.609649 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -2.229 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -57.751261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.751261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.751261 (E_RNA) where: Base-Base interactions energy: -23.150 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.000 local terms energy: -34.601286 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -4.201 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: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -48.812012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.812012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.812012 (E_RNA) where: Base-Base interactions energy: -20.592 where: short stacking energy: -20.592 Base-Backbone interact. energy: -0.144 local terms energy: -28.076633 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.861 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: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -45.343895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.343895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.343895 (E_RNA) where: Base-Base interactions energy: -15.964 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.038 local terms energy: -29.340951 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -48.112980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.112980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.112980 (E_RNA) where: Base-Base interactions energy: -26.538 where: short stacking energy: -5.202 Base-Backbone interact. energy: -0.164 local terms energy: -21.410987 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -1.667 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: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -49.127644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.127644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.127644 (E_RNA) where: Base-Base interactions energy: -23.345 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.782852 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -4.021 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: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -43.064023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.064023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.064023 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.249 local terms energy: -22.939403 where: bonds (distance) C4'-P energy: -2.442 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -41.349240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349240 (E_RNA) where: Base-Base interactions energy: -12.583 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.094 local terms energy: -28.673004 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -5.903 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: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -67.210119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.210119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.210119 (E_RNA) where: Base-Base interactions energy: -30.493 where: short stacking energy: -30.493 Base-Backbone interact. energy: -0.092 local terms energy: -36.625384 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -5.835 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -83.776617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.776617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.776617 (E_RNA) where: Base-Base interactions energy: -46.945 where: short stacking energy: -30.267 Base-Backbone interact. energy: 1.081 local terms energy: -37.913407 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -7.574 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: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -54.264697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.264697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.264697 (E_RNA) where: Base-Base interactions energy: -23.661 where: short stacking energy: -23.661 Base-Backbone interact. energy: -0.000 local terms energy: -30.603997 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -50.405123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.405123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.405123 (E_RNA) where: Base-Base interactions energy: -20.169 where: short stacking energy: -20.169 Base-Backbone interact. energy: -0.000 local terms energy: -30.235669 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.955 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -49.392573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.392573 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -18.055 Base-Backbone interact. energy: -0.101 local terms energy: -31.236902 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -60.580363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.580363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.580363 (E_RNA) where: Base-Base interactions energy: -28.654 where: short stacking energy: -28.654 Base-Backbone interact. energy: -0.001 local terms energy: -31.925426 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -7.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -45.919670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.919670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.919670 (E_RNA) where: Base-Base interactions energy: -19.488 where: short stacking energy: -19.488 Base-Backbone interact. energy: -0.095 local terms energy: -26.336982 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -41.073806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.073806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.073806 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -15.345 Base-Backbone interact. energy: -0.078 local terms energy: -27.050883 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -2.179 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: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -43.573200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.573200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.573200 (E_RNA) where: Base-Base interactions energy: -14.177 where: short stacking energy: -10.709 Base-Backbone interact. energy: 0.365 local terms energy: -29.760545 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -0.016 tors. eta vs tors. theta energy: -6.325 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -41.264653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.264653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.264653 (E_RNA) where: Base-Base interactions energy: -15.105 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.046 local terms energy: -26.112937 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: 0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -65.479256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.479256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.479256 (E_RNA) where: Base-Base interactions energy: -31.712 where: short stacking energy: -30.763 Base-Backbone interact. energy: -0.074 local terms energy: -33.693370 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -64.538628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.538628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.538628 (E_RNA) where: Base-Base interactions energy: -30.835 where: short stacking energy: -24.437 Base-Backbone interact. energy: -0.040 local terms energy: -33.663721 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -52.686474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.686474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.686474 (E_RNA) where: Base-Base interactions energy: -24.459 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.097 local terms energy: -28.130261 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -5.919 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -51.496471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.496471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.496471 (E_RNA) where: Base-Base interactions energy: -19.122 where: short stacking energy: -19.122 Base-Backbone interact. energy: -0.037 local terms energy: -32.337786 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -4.316 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: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -54.813147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.813147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.813147 (E_RNA) where: Base-Base interactions energy: -21.472 where: short stacking energy: -21.361 Base-Backbone interact. energy: -0.003 local terms energy: -33.338453 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.487 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -46.769171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.769171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.769171 (E_RNA) where: Base-Base interactions energy: -15.085 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.005 local terms energy: -31.679194 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -6.253 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: 7, replica: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -52.531605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.531605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.531605 (E_RNA) where: Base-Base interactions energy: -21.200 where: short stacking energy: -21.200 Base-Backbone interact. energy: -0.200 local terms energy: -31.131396 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -7.057 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: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -46.833752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.833752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.833752 (E_RNA) where: Base-Base interactions energy: -18.167 where: short stacking energy: -16.332 Base-Backbone interact. energy: -0.389 local terms energy: -28.277989 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.137 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: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -40.777938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.777938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.777938 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -12.565 Base-Backbone interact. energy: -0.013 local terms energy: -28.199911 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -5.894 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: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -46.361309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.361309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.361309 (E_RNA) where: Base-Base interactions energy: -20.755 where: short stacking energy: -20.755 Base-Backbone interact. energy: -0.009 local terms energy: -25.597187 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.029 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -62.695115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.695115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.695115 (E_RNA) where: Base-Base interactions energy: -29.767 where: short stacking energy: -26.230 Base-Backbone interact. energy: -0.000 local terms energy: -32.928260 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -75.274431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.274431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.274431 (E_RNA) where: Base-Base interactions energy: -42.384 where: short stacking energy: -28.647 Base-Backbone interact. energy: -0.010 local terms energy: -32.880612 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -55.972842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.972842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.972842 (E_RNA) where: Base-Base interactions energy: -23.958 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.068 local terms energy: -31.946974 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -6.072 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: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -70.613879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.613879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.613879 (E_RNA) where: Base-Base interactions energy: -34.086 where: short stacking energy: -26.132 Base-Backbone interact. energy: -0.015 local terms energy: -36.512964 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -50.109562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.109562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.109562 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -11.563 Base-Backbone interact. energy: 0.169 local terms energy: -28.833284 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -3.797 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -46.429179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.429179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.429179 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.173 local terms energy: -25.313343 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -52.793139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.793139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.793139 (E_RNA) where: Base-Base interactions energy: -19.197 where: short stacking energy: -19.197 Base-Backbone interact. energy: -0.029 local terms energy: -33.566781 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -6.061 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: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -44.141274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.141274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.141274 (E_RNA) where: Base-Base interactions energy: -13.504 where: short stacking energy: -11.432 Base-Backbone interact. energy: -0.034 local terms energy: -30.603917 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -5.185 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: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -54.568835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.568835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.568835 (E_RNA) where: Base-Base interactions energy: -31.273 where: short stacking energy: -20.021 Base-Backbone interact. energy: -0.275 local terms energy: -23.021037 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -3.093 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -48.377179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.377179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.377179 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.068 local terms energy: -34.591123 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -8.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -58.275078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.275078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.275078 (E_RNA) where: Base-Base interactions energy: -26.784 where: short stacking energy: -23.353 Base-Backbone interact. energy: -0.002 local terms energy: -31.489227 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -6.521 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -66.672859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.672859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.672859 (E_RNA) where: Base-Base interactions energy: -28.559 where: short stacking energy: -28.559 Base-Backbone interact. energy: -0.031 local terms energy: -38.082865 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -66.983570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.983570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.983570 (E_RNA) where: Base-Base interactions energy: -29.600 where: short stacking energy: -29.600 Base-Backbone interact. energy: -0.019 local terms energy: -37.365333 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -9.584 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -53.332079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.332079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.332079 (E_RNA) where: Base-Base interactions energy: -24.730 where: short stacking energy: -19.998 Base-Backbone interact. energy: -0.001 local terms energy: -28.600637 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -1.412 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: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -46.845272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.845272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.845272 (E_RNA) where: Base-Base interactions energy: -16.257 where: short stacking energy: -16.257 Base-Backbone interact. energy: -0.199 local terms energy: -30.389256 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.805 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -50.163975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.163975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.163975 (E_RNA) where: Base-Base interactions energy: -18.330 where: short stacking energy: -18.330 Base-Backbone interact. energy: -0.000 local terms energy: -31.834194 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -43.781450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.781450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.781450 (E_RNA) where: Base-Base interactions energy: -17.231 where: short stacking energy: -17.231 Base-Backbone interact. energy: -0.100 local terms energy: -26.451215 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -42.706031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.706031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.706031 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.709 Base-Backbone interact. energy: -0.032 local terms energy: -26.164173 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -4.934 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: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -39.191373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191373 (E_RNA) where: Base-Base interactions energy: -15.047 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.189 local terms energy: -23.955035 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -34.608255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.608255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.608255 (E_RNA) where: Base-Base interactions energy: -11.991 where: short stacking energy: -5.847 Base-Backbone interact. energy: -0.425 local terms energy: -22.192034 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -3.886 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -2.531 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: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -69.024337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.024337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.024337 (E_RNA) where: Base-Base interactions energy: -30.082 where: short stacking energy: -30.082 Base-Backbone interact. energy: -0.000 local terms energy: -38.942396 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -68.503489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.503489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.503489 (E_RNA) where: Base-Base interactions energy: -29.176 where: short stacking energy: -29.176 Base-Backbone interact. energy: -1.319 local terms energy: -38.008877 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -57.886325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.886325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.886325 (E_RNA) where: Base-Base interactions energy: -24.366 where: short stacking energy: -24.366 Base-Backbone interact. energy: -0.000 local terms energy: -33.520360 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -4.726 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: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -55.708703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708703 (E_RNA) where: Base-Base interactions energy: -23.193 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.097 local terms energy: -32.418332 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -7.298 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: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -55.266943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.266943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.266943 (E_RNA) where: Base-Base interactions energy: -22.609 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.001 local terms energy: -32.656743 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -4.752 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: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -46.873059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.873059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.873059 (E_RNA) where: Base-Base interactions energy: -16.249 where: short stacking energy: -16.249 Base-Backbone interact. energy: -0.049 local terms energy: -30.575013 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -4.877 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: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -47.941845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.941845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.941845 (E_RNA) where: Base-Base interactions energy: -19.188 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.005 local terms energy: -28.748642 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -50.037770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.037770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.037770 (E_RNA) where: Base-Base interactions energy: -20.247 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.058 local terms energy: -29.733146 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.402 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -42.624438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.624438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.624438 (E_RNA) where: Base-Base interactions energy: -14.801 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.005 local terms energy: -27.817899 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -44.518150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.518150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.518150 (E_RNA) where: Base-Base interactions energy: -15.732 where: short stacking energy: -15.732 Base-Backbone interact. energy: -0.197 local terms energy: -28.589187 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -71.448125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.448125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.448125 (E_RNA) where: Base-Base interactions energy: -33.720 where: short stacking energy: -33.720 Base-Backbone interact. energy: -0.000 local terms energy: -37.728526 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -56.675289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.675289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.675289 (E_RNA) where: Base-Base interactions energy: -23.427 where: short stacking energy: -21.333 Base-Backbone interact. energy: -0.068 local terms energy: -33.179557 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -55.803399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.803399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.803399 (E_RNA) where: Base-Base interactions energy: -24.900 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.001 local terms energy: -30.902320 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -6.675 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: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -53.509354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.509354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.509354 (E_RNA) where: Base-Base interactions energy: -21.193 where: short stacking energy: -21.193 Base-Backbone interact. energy: -0.030 local terms energy: -32.286234 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -43.488287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.488287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.488287 (E_RNA) where: Base-Base interactions energy: -14.915 where: short stacking energy: -14.915 Base-Backbone interact. energy: 0.142 local terms energy: -28.714463 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -49.507085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.507085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.507085 (E_RNA) where: Base-Base interactions energy: -19.038 where: short stacking energy: -19.038 Base-Backbone interact. energy: -0.041 local terms energy: -30.428154 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.774 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -54.518884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.518884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.518884 (E_RNA) where: Base-Base interactions energy: -19.098 where: short stacking energy: -19.098 Base-Backbone interact. energy: -0.031 local terms energy: -35.389512 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.018 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -52.633866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.633866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.633866 (E_RNA) where: Base-Base interactions energy: -18.810 where: short stacking energy: -18.810 Base-Backbone interact. energy: -0.041 local terms energy: -33.782486 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -39.712798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.712798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.712798 (E_RNA) where: Base-Base interactions energy: -11.734 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.003 local terms energy: -27.976046 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -5.145 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: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -43.502086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.502086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.502086 (E_RNA) where: Base-Base interactions energy: -18.752 where: short stacking energy: -18.752 Base-Backbone interact. energy: -0.008 local terms energy: -24.742195 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -66.157654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.157654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.157654 (E_RNA) where: Base-Base interactions energy: -29.510 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.000 local terms energy: -36.647670 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -71.006959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.006959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.006959 (E_RNA) where: Base-Base interactions energy: -38.211 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.001 local terms energy: -32.795042 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -62.780465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.780465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.780465 (E_RNA) where: Base-Base interactions energy: -29.053 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.466 local terms energy: -33.261164 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -6.901 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: 292 Temperature: 1.050000 Total energy: -56.864983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.864983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.864983 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.000 local terms energy: -35.363950 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -7.520 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: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -49.572933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.572933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.572933 (E_RNA) where: Base-Base interactions energy: -14.993 where: short stacking energy: -14.993 Base-Backbone interact. energy: -0.001 local terms energy: -34.579596 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -6.781 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: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -52.681834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.681834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.681834 (E_RNA) where: Base-Base interactions energy: -19.244 where: short stacking energy: -19.244 Base-Backbone interact. energy: -0.049 local terms energy: -33.389447 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -5.828 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: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -50.872158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.872158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.872158 (E_RNA) where: Base-Base interactions energy: -16.693 where: short stacking energy: -16.333 Base-Backbone interact. energy: -0.726 local terms energy: -33.453529 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -6.000 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: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -48.307921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.307921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.307921 (E_RNA) where: Base-Base interactions energy: -18.740 where: short stacking energy: -18.612 Base-Backbone interact. energy: -0.093 local terms energy: -29.475157 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -5.652 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: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -50.312200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.312200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.312200 (E_RNA) where: Base-Base interactions energy: -23.918 where: short stacking energy: -21.647 Base-Backbone interact. energy: -0.014 local terms energy: -26.380479 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -0.938 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -39.110934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110934 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.253 Base-Backbone interact. energy: -0.000 local terms energy: -29.767945 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.228 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: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -58.864025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.864025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.864025 (E_RNA) where: Base-Base interactions energy: -30.116 where: short stacking energy: -22.997 Base-Backbone interact. energy: -0.129 local terms energy: -28.619662 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -6.503 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: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -59.145099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.145099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.145099 (E_RNA) where: Base-Base interactions energy: -25.015 where: short stacking energy: -19.334 Base-Backbone interact. energy: -0.008 local terms energy: -34.122755 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -5.338 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: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -64.414254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.414254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.414254 (E_RNA) where: Base-Base interactions energy: -37.332 where: short stacking energy: -22.953 Base-Backbone interact. energy: -0.003 local terms energy: -27.079704 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -6.124 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: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -50.305830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.305830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.305830 (E_RNA) where: Base-Base interactions energy: -18.549 where: short stacking energy: -18.549 Base-Backbone interact. energy: -0.007 local terms energy: -31.749443 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -48.579172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.579172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.579172 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.195 local terms energy: -29.450712 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -53.277730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.277730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.277730 (E_RNA) where: Base-Base interactions energy: -25.314 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.033 local terms energy: -27.930131 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -0.528 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: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -41.288064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.288064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.288064 (E_RNA) where: Base-Base interactions energy: -16.147 where: short stacking energy: -16.147 Base-Backbone interact. energy: -0.002 local terms energy: -25.139062 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -3.632 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: 293 Temperature: 1.250000 Total energy: -44.186916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.186916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.186916 (E_RNA) where: Base-Base interactions energy: -13.380 where: short stacking energy: -13.380 Base-Backbone interact. energy: -0.001 local terms energy: -30.805895 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -5.547 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: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -46.772951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.772951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.772951 (E_RNA) where: Base-Base interactions energy: -20.535 where: short stacking energy: -16.826 Base-Backbone interact. energy: -0.002 local terms energy: -26.235548 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -41.060920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.060920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.060920 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -16.001 Base-Backbone interact. energy: -0.099 local terms energy: -24.665025 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -0.325 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: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -70.317605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.317605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.317605 (E_RNA) where: Base-Base interactions energy: -34.857 where: short stacking energy: -34.857 Base-Backbone interact. energy: -0.000 local terms energy: -35.460428 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -9.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -59.853384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.853384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.853384 (E_RNA) where: Base-Base interactions energy: -29.908 where: short stacking energy: -19.712 Base-Backbone interact. energy: -0.016 local terms energy: -29.929676 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.822 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: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -58.492067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.492067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.492067 (E_RNA) where: Base-Base interactions energy: -25.603 where: short stacking energy: -25.603 Base-Backbone interact. energy: -0.000 local terms energy: -32.888338 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -61.841309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.841309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.841309 (E_RNA) where: Base-Base interactions energy: -27.809 where: short stacking energy: -27.809 Base-Backbone interact. energy: -0.000 local terms energy: -34.032246 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -55.582304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.582304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.582304 (E_RNA) where: Base-Base interactions energy: -23.347 where: short stacking energy: -23.347 Base-Backbone interact. energy: -0.000 local terms energy: -32.234761 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.258 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: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -47.505301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.505301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.505301 (E_RNA) where: Base-Base interactions energy: -19.078 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.042 local terms energy: -28.384586 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.557 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: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -47.933370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.933370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.933370 (E_RNA) where: Base-Base interactions energy: -17.330 where: short stacking energy: -17.330 Base-Backbone interact. energy: -0.001 local terms energy: -30.602372 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -44.057329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057329 (E_RNA) where: Base-Base interactions energy: -18.429 where: short stacking energy: -18.429 Base-Backbone interact. energy: -0.088 local terms energy: -25.540417 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -0.380 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: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -41.554580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.554580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.554580 (E_RNA) where: Base-Base interactions energy: -16.505 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.009 local terms energy: -25.040414 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -42.917598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.917598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.917598 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.013 local terms energy: -29.236047 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -66.341000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.341000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.341000 (E_RNA) where: Base-Base interactions energy: -30.621 where: short stacking energy: -30.621 Base-Backbone interact. energy: -0.000 local terms energy: -35.719967 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -59.142476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.142476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.142476 (E_RNA) where: Base-Base interactions energy: -26.228 where: short stacking energy: -26.228 Base-Backbone interact. energy: -0.025 local terms energy: -32.890272 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -7.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -56.213159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.213159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.213159 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.001 local terms energy: -32.903018 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -5.846 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -55.067059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.067059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.067059 (E_RNA) where: Base-Base interactions energy: -22.880 where: short stacking energy: -21.539 Base-Backbone interact. energy: -0.001 local terms energy: -32.186595 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -6.601 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -60.979400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.979400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.979400 (E_RNA) where: Base-Base interactions energy: -28.376 where: short stacking energy: -25.525 Base-Backbone interact. energy: -0.013 local terms energy: -32.589888 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -5.282 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: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -51.047195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.047195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.047195 (E_RNA) where: Base-Base interactions energy: -20.346 where: short stacking energy: -19.244 Base-Backbone interact. energy: -0.001 local terms energy: -30.700746 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -3.265 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: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -45.891735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.891735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.891735 (E_RNA) where: Base-Base interactions energy: -17.753 where: short stacking energy: -16.048 Base-Backbone interact. energy: -0.005 local terms energy: -28.133464 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -46.374614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.374614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.374614 (E_RNA) where: Base-Base interactions energy: -16.979 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.056 local terms energy: -29.340277 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -4.280 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: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -40.383163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.383163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.383163 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.098 local terms energy: -29.554838 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -45.455339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.455339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.455339 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -11.349 Base-Backbone interact. energy: -0.016 local terms energy: -20.413872 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: 4.839 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: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -67.699633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.699633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.699633 (E_RNA) where: Base-Base interactions energy: -34.255 where: short stacking energy: -24.250 Base-Backbone interact. energy: -0.009 local terms energy: -33.435607 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -2.559 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: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -67.974473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.974473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.974473 (E_RNA) where: Base-Base interactions energy: -30.912 where: short stacking energy: -30.912 Base-Backbone interact. energy: -0.001 local terms energy: -37.062340 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -9.788 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: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -55.202883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.202883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.202883 (E_RNA) where: Base-Base interactions energy: -26.296 where: short stacking energy: -18.749 Base-Backbone interact. energy: -0.011 local terms energy: -28.895855 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -5.450 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: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -57.919035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.919035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.919035 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -24.375 Base-Backbone interact. energy: -0.006 local terms energy: -33.538134 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -4.458 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -9.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -53.214207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.214207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.214207 (E_RNA) where: Base-Base interactions energy: -22.176 where: short stacking energy: -22.176 Base-Backbone interact. energy: -0.000 local terms energy: -31.037906 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -4.617 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: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -49.361797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.361797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.361797 (E_RNA) where: Base-Base interactions energy: -23.576 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.000 local terms energy: -25.786009 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.025 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: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -43.793163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.793163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.793163 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: 0.259 local terms energy: -32.064474 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -6.216 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: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -43.579807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.579807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.579807 (E_RNA) where: Base-Base interactions energy: -11.820 where: short stacking energy: -8.125 Base-Backbone interact. energy: 0.427 local terms energy: -32.186695 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -5.634 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: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -51.945274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.945274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.945274 (E_RNA) where: Base-Base interactions energy: -19.165 where: short stacking energy: -19.165 Base-Backbone interact. energy: -0.000 local terms energy: -32.779767 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -43.182806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.182806 (E_RNA) where: Base-Base interactions energy: -9.618 where: short stacking energy: -9.618 Base-Backbone interact. energy: -0.166 local terms energy: -33.398589 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -6.278 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: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -69.475825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.475825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.475825 (E_RNA) where: Base-Base interactions energy: -34.353 where: short stacking energy: -34.353 Base-Backbone interact. energy: -0.000 local terms energy: -35.122759 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -9.636 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -79.299792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.299792 (E_RNA) where: Base-Base interactions energy: -46.781 where: short stacking energy: -27.447 Base-Backbone interact. energy: 2.144 local terms energy: -34.662510 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -59.208835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.208835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.208835 (E_RNA) where: Base-Base interactions energy: -27.559 where: short stacking energy: -27.559 Base-Backbone interact. energy: -0.000 local terms energy: -31.649843 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -5.280 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: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -62.716336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.716336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.716336 (E_RNA) where: Base-Base interactions energy: -28.608 where: short stacking energy: -23.698 Base-Backbone interact. energy: -0.012 local terms energy: -34.096025 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -46.376502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.376502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.376502 (E_RNA) where: Base-Base interactions energy: -16.173 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.098 local terms energy: -30.104683 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -51.579981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.579981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.579981 (E_RNA) where: Base-Base interactions energy: -20.538 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.004 local terms energy: -31.038192 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -49.553788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.553788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.553788 (E_RNA) where: Base-Base interactions energy: -20.821 where: short stacking energy: -20.821 Base-Backbone interact. energy: -0.000 local terms energy: -28.732578 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -5.545 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: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -52.166523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.166523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.166523 (E_RNA) where: Base-Base interactions energy: -20.788 where: short stacking energy: -20.788 Base-Backbone interact. energy: -0.000 local terms energy: -31.378094 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -48.220278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.220278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.220278 (E_RNA) where: Base-Base interactions energy: -20.936 where: short stacking energy: -20.936 Base-Backbone interact. energy: -0.005 local terms energy: -27.279145 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -46.286670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.286670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.286670 (E_RNA) where: Base-Base interactions energy: -17.698 where: short stacking energy: -17.314 Base-Backbone interact. energy: -0.038 local terms energy: -28.550406 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -5.330 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: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -79.457873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.457873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.457873 (E_RNA) where: Base-Base interactions energy: -42.553 where: short stacking energy: -24.125 Base-Backbone interact. energy: -0.003 local terms energy: -36.901637 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -6.374 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: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -64.823932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.823932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.823932 (E_RNA) where: Base-Base interactions energy: -32.255 where: short stacking energy: -26.215 Base-Backbone interact. energy: -0.000 local terms energy: -32.569010 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -63.109410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.109410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.109410 (E_RNA) where: Base-Base interactions energy: -23.542 where: short stacking energy: -23.542 Base-Backbone interact. energy: -0.000 local terms energy: -39.566880 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -47.410235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.410235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.410235 (E_RNA) where: Base-Base interactions energy: -21.117 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.049 local terms energy: -26.244533 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: 0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -55.856902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.856902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.856902 (E_RNA) where: Base-Base interactions energy: -20.829 where: short stacking energy: -16.692 Base-Backbone interact. energy: -0.000 local terms energy: -35.027564 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -53.235426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.235426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.235426 (E_RNA) where: Base-Base interactions energy: -19.495 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.029 local terms energy: -33.712294 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -53.297181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.297181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.297181 (E_RNA) where: Base-Base interactions energy: -21.865 where: short stacking energy: -21.865 Base-Backbone interact. energy: -1.056 local terms energy: -30.376275 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -1.928 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -54.708901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.708901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.708901 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.090 local terms energy: -33.632049 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -5.125 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: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -43.868855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.868855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.868855 (E_RNA) where: Base-Base interactions energy: -17.864 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.000 local terms energy: -26.004974 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -43.093718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.093718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.093718 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.046 local terms energy: -29.415715 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.501 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: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -80.158148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.158148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.158148 (E_RNA) where: Base-Base interactions energy: -44.250 where: short stacking energy: -29.784 Base-Backbone interact. energy: -0.002 local terms energy: -35.905855 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -60.740448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.740448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.740448 (E_RNA) where: Base-Base interactions energy: -32.386 where: short stacking energy: -20.556 Base-Backbone interact. energy: -0.002 local terms energy: -28.352006 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -2.156 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: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -54.685694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.685694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.685694 (E_RNA) where: Base-Base interactions energy: -23.970 where: short stacking energy: -23.208 Base-Backbone interact. energy: -0.007 local terms energy: -30.709425 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -52.391679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.391679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.391679 (E_RNA) where: Base-Base interactions energy: -20.007 where: short stacking energy: -20.007 Base-Backbone interact. energy: -0.003 local terms energy: -32.381752 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -46.772607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.772607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.772607 (E_RNA) where: Base-Base interactions energy: -17.211 where: short stacking energy: -17.211 Base-Backbone interact. energy: -0.104 local terms energy: -29.457727 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -6.697 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: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -54.430160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430160 (E_RNA) where: Base-Base interactions energy: -23.516 where: short stacking energy: -22.178 Base-Backbone interact. energy: -0.000 local terms energy: -30.914121 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.927 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -42.635704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.635704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.635704 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.146 local terms energy: -29.074735 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -39.662539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.662539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.662539 (E_RNA) where: Base-Base interactions energy: -15.007 where: short stacking energy: -15.007 Base-Backbone interact. energy: -0.001 local terms energy: -24.654446 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -0.977 tors. eta vs tors. theta energy: -0.222 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: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -44.174696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.174696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.174696 (E_RNA) where: Base-Base interactions energy: -11.741 where: short stacking energy: -11.741 Base-Backbone interact. energy: -0.006 local terms energy: -32.427585 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -49.520768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.520768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.520768 (E_RNA) where: Base-Base interactions energy: -24.245 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.006 local terms energy: -25.269413 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -73.873115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.873115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.873115 (E_RNA) where: Base-Base interactions energy: -37.489 where: short stacking energy: -27.381 Base-Backbone interact. energy: -0.009 local terms energy: -36.375822 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -5.321 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: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -71.120125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.120125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.120125 (E_RNA) where: Base-Base interactions energy: -33.554 where: short stacking energy: -33.554 Base-Backbone interact. energy: -0.004 local terms energy: -37.561853 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.063 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -67.629860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.629860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.629860 (E_RNA) where: Base-Base interactions energy: -31.651 where: short stacking energy: -31.651 Base-Backbone interact. energy: -0.001 local terms energy: -35.977928 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -49.951831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.951831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.951831 (E_RNA) where: Base-Base interactions energy: -20.123 where: short stacking energy: -20.123 Base-Backbone interact. energy: -0.027 local terms energy: -29.801891 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -5.294 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: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -61.469228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.469228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.469228 (E_RNA) where: Base-Base interactions energy: -27.832 where: short stacking energy: -27.807 Base-Backbone interact. energy: -0.027 local terms energy: -33.610721 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -5.073 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: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -50.591571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.591571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.591571 (E_RNA) where: Base-Base interactions energy: -20.495 where: short stacking energy: -20.495 Base-Backbone interact. energy: -0.203 local terms energy: -29.893274 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.903 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: 7, replica: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -44.771535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771535 (E_RNA) where: Base-Base interactions energy: -15.989 where: short stacking energy: -15.865 Base-Backbone interact. energy: -0.063 local terms energy: -28.719640 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.571 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: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -43.162154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.162154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.162154 (E_RNA) where: Base-Base interactions energy: -13.464 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.058 local terms energy: -29.640794 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -38.844362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844362 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.047 local terms energy: -25.849960 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -1.309 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: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -46.194578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.194578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.194578 (E_RNA) where: Base-Base interactions energy: -20.027 where: short stacking energy: -19.997 Base-Backbone interact. energy: -0.008 local terms energy: -26.160233 where: bonds (distance) C4'-P energy: -1.858 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -73.319574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.319574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.319574 (E_RNA) where: Base-Base interactions energy: -35.929 where: short stacking energy: -27.046 Base-Backbone interact. energy: -0.012 local terms energy: -37.378711 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -8.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -64.913243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.913243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.913243 (E_RNA) where: Base-Base interactions energy: -34.429 where: short stacking energy: -19.595 Base-Backbone interact. energy: -0.002 local terms energy: -30.482483 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -6.992 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: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -62.422899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.422899 (E_RNA) where: Base-Base interactions energy: -26.879 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.000 local terms energy: -35.543631 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -4.821 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: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -71.937212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.937212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.937212 (E_RNA) where: Base-Base interactions energy: -43.866 where: short stacking energy: -24.339 Base-Backbone interact. energy: -0.004 local terms energy: -28.066713 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -56.457151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.457151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.457151 (E_RNA) where: Base-Base interactions energy: -24.005 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.001 local terms energy: -32.451804 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -5.950 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: 6, replica: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -54.619045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.619045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.619045 (E_RNA) where: Base-Base interactions energy: -25.054 where: short stacking energy: -25.054 Base-Backbone interact. energy: 0.334 local terms energy: -29.899466 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -4.862 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -47.670007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.670007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.670007 (E_RNA) where: Base-Base interactions energy: -20.376 where: short stacking energy: -20.376 Base-Backbone interact. energy: -0.027 local terms energy: -27.267221 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -44.471014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.471014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.471014 (E_RNA) where: Base-Base interactions energy: -19.347 where: short stacking energy: -19.106 Base-Backbone interact. energy: -0.136 local terms energy: -24.987444 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: 0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -49.608460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608460 (E_RNA) where: Base-Base interactions energy: -19.301 where: short stacking energy: -19.301 Base-Backbone interact. energy: -0.051 local terms energy: -30.257172 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -3.044 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: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -37.993857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.993857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.993857 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.034 local terms energy: -25.265214 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -3.417 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: 0.991 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: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -73.421665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.421665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.421665 (E_RNA) where: Base-Base interactions energy: -36.769 where: short stacking energy: -24.379 Base-Backbone interact. energy: -0.008 local terms energy: -36.644901 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -66.652513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.652513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.652513 (E_RNA) where: Base-Base interactions energy: -35.435 where: short stacking energy: -17.986 Base-Backbone interact. energy: -0.167 local terms energy: -31.051377 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -70.949338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.949338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.949338 (E_RNA) where: Base-Base interactions energy: -36.136 where: short stacking energy: -26.880 Base-Backbone interact. energy: -0.011 local terms energy: -34.802010 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -8.773 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -59.915843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.915843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.915843 (E_RNA) where: Base-Base interactions energy: -25.993 where: short stacking energy: -25.993 Base-Backbone interact. energy: -0.002 local terms energy: -33.920245 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -8.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -55.212013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.212013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.212013 (E_RNA) where: Base-Base interactions energy: -20.480 where: short stacking energy: -20.480 Base-Backbone interact. energy: -0.005 local terms energy: -34.727072 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -46.980305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.980305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.980305 (E_RNA) where: Base-Base interactions energy: -20.087 where: short stacking energy: -11.390 Base-Backbone interact. energy: -0.470 local terms energy: -26.423828 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.119 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.280 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: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -43.648702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.648702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.648702 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.203 local terms energy: -30.121900 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -2.149 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: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -44.569200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.569200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.569200 (E_RNA) where: Base-Base interactions energy: -14.891 where: short stacking energy: -14.891 Base-Backbone interact. energy: -0.010 local terms energy: -29.668215 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -44.221955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.221955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.221955 (E_RNA) where: Base-Base interactions energy: -14.577 where: short stacking energy: -14.577 Base-Backbone interact. energy: -0.050 local terms energy: -29.595019 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -5.909 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: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -46.147139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147139 (E_RNA) where: Base-Base interactions energy: -11.989 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.000 local terms energy: -34.157365 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -6.057 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: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -71.473676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.473676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.473676 (E_RNA) where: Base-Base interactions energy: -36.861 where: short stacking energy: -23.954 Base-Backbone interact. energy: -0.034 local terms energy: -34.579164 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -6.086 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: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -78.099419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.099419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.099419 (E_RNA) where: Base-Base interactions energy: -41.891 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.077 local terms energy: -36.131115 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.851 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: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -65.476232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.476232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.476232 (E_RNA) where: Base-Base interactions energy: -39.283 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.099 local terms energy: -26.094194 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -51.876972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.876972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.876972 (E_RNA) where: Base-Base interactions energy: -20.929 where: short stacking energy: -20.929 Base-Backbone interact. energy: -0.001 local terms energy: -30.946938 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.818 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: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -52.734713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.734713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.734713 (E_RNA) where: Base-Base interactions energy: -21.179 where: short stacking energy: -21.179 Base-Backbone interact. energy: -0.001 local terms energy: -31.554842 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -52.923089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.923089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.923089 (E_RNA) where: Base-Base interactions energy: -19.889 where: short stacking energy: -19.889 Base-Backbone interact. energy: -0.082 local terms energy: -32.951704 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -3.298 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -48.659913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.659913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.659913 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.323 local terms energy: -32.708787 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -3.134 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: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -54.538336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.538336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.538336 (E_RNA) where: Base-Base interactions energy: -27.685 where: short stacking energy: -27.685 Base-Backbone interact. energy: -0.001 local terms energy: -26.852482 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -3.763 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: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -45.298086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.298086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.298086 (E_RNA) where: Base-Base interactions energy: -14.811 where: short stacking energy: -14.811 Base-Backbone interact. energy: -0.154 local terms energy: -30.333786 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.912 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -45.849862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.849862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.849862 (E_RNA) where: Base-Base interactions energy: -17.760 where: short stacking energy: -17.760 Base-Backbone interact. energy: -0.001 local terms energy: -28.089424 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -3.477 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -59.112826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.112826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.112826 (E_RNA) where: Base-Base interactions energy: -25.461 where: short stacking energy: -25.461 Base-Backbone interact. energy: -0.003 local terms energy: -33.649398 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -65.952882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.952882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.952882 (E_RNA) where: Base-Base interactions energy: -28.404 where: short stacking energy: -28.404 Base-Backbone interact. energy: -0.000 local terms energy: -37.548693 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -65.548458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.548458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.548458 (E_RNA) where: Base-Base interactions energy: -35.051 where: short stacking energy: -20.438 Base-Backbone interact. energy: -0.002 local terms energy: -30.495584 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -49.536562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.536562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.536562 (E_RNA) where: Base-Base interactions energy: -16.585 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.747 local terms energy: -32.204471 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.947 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: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -53.577146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.577146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.577146 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.008 local terms energy: -31.762395 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -51.684785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.684785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.684785 (E_RNA) where: Base-Base interactions energy: -20.258 where: short stacking energy: -16.158 Base-Backbone interact. energy: -1.154 local terms energy: -30.272150 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -1.722 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: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -49.547854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.547854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.547854 (E_RNA) where: Base-Base interactions energy: -22.962 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.004 local terms energy: -26.581570 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -4.175 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: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -48.142188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.142188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.142188 (E_RNA) where: Base-Base interactions energy: -16.012 where: short stacking energy: -16.012 Base-Backbone interact. energy: -0.006 local terms energy: -32.125103 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -4.077 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: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -50.630636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.630636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.630636 (E_RNA) where: Base-Base interactions energy: -21.200 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.046 local terms energy: -29.383952 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -51.933149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933149 (E_RNA) where: Base-Base interactions energy: -23.323 where: short stacking energy: -23.323 Base-Backbone interact. energy: -0.000 local terms energy: -28.610051 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -61.979541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.979541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.979541 (E_RNA) where: Base-Base interactions energy: -27.846 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.051 local terms energy: -34.082553 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -67.149718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.149718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.149718 (E_RNA) where: Base-Base interactions energy: -31.195 where: short stacking energy: -31.195 Base-Backbone interact. energy: -0.045 local terms energy: -35.909291 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -7.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -53.215784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.215784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.215784 (E_RNA) where: Base-Base interactions energy: -20.203 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.000 local terms energy: -33.012642 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -6.462 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: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -51.824535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.824535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.824535 (E_RNA) where: Base-Base interactions energy: -19.659 where: short stacking energy: -19.055 Base-Backbone interact. energy: -0.142 local terms energy: -32.023421 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -6.078 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: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -57.439336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.439336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.439336 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -23.823 Base-Backbone interact. energy: -0.001 local terms energy: -33.397237 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -3.372 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: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -44.826428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.826428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.826428 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.000 local terms energy: -28.268132 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -57.068429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.068429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.068429 (E_RNA) where: Base-Base interactions energy: -25.965 where: short stacking energy: -23.604 Base-Backbone interact. energy: -0.000 local terms energy: -31.103401 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -5.976 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: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -40.785705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.785705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.785705 (E_RNA) where: Base-Base interactions energy: -14.209 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.530 local terms energy: -26.046603 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.713 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: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -42.192720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.192720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.192720 (E_RNA) where: Base-Base interactions energy: -14.016 where: short stacking energy: -14.016 Base-Backbone interact. energy: -0.008 local terms energy: -28.168824 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -46.655264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.655264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.655264 (E_RNA) where: Base-Base interactions energy: -18.694 where: short stacking energy: -18.064 Base-Backbone interact. energy: -0.012 local terms energy: -27.949200 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.281 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: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -61.743173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.743173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.743173 (E_RNA) where: Base-Base interactions energy: -25.966 where: short stacking energy: -25.966 Base-Backbone interact. energy: -0.001 local terms energy: -35.776826 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -7.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -67.237391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.237391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.237391 (E_RNA) where: Base-Base interactions energy: -29.561 where: short stacking energy: -28.481 Base-Backbone interact. energy: -0.000 local terms energy: -37.676032 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -57.464170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.464170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.464170 (E_RNA) where: Base-Base interactions energy: -23.714 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.041 local terms energy: -33.710000 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -50.428173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.428173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.428173 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -18.369 Base-Backbone interact. energy: -0.057 local terms energy: -29.856917 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.997 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: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -52.172110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.172110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.172110 (E_RNA) where: Base-Base interactions energy: -21.153 where: short stacking energy: -21.153 Base-Backbone interact. energy: -0.026 local terms energy: -30.993227 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -6.100 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: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -49.798619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.798619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.798619 (E_RNA) where: Base-Base interactions energy: -21.516 where: short stacking energy: -21.516 Base-Backbone interact. energy: -0.014 local terms energy: -28.268957 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -46.840861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.840861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.840861 (E_RNA) where: Base-Base interactions energy: -18.203 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.091 local terms energy: -28.546579 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -5.501 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: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -41.479489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.479489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.479489 (E_RNA) where: Base-Base interactions energy: -11.444 where: short stacking energy: -11.444 Base-Backbone interact. energy: -0.050 local terms energy: -29.985770 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.076 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: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -49.911158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.911158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.911158 (E_RNA) where: Base-Base interactions energy: -19.304 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.017 local terms energy: -30.590141 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -40.385559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.385559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.385559 (E_RNA) where: Base-Base interactions energy: -14.491 where: short stacking energy: -14.491 Base-Backbone interact. energy: -0.081 local terms energy: -25.813059 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.716 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: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -67.412013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.412013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.412013 (E_RNA) where: Base-Base interactions energy: -29.737 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.000 local terms energy: -37.675167 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -63.063646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.063646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.063646 (E_RNA) where: Base-Base interactions energy: -25.906 where: short stacking energy: -25.906 Base-Backbone interact. energy: -0.003 local terms energy: -37.154116 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -57.316350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.316350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.316350 (E_RNA) where: Base-Base interactions energy: -23.079 where: short stacking energy: -19.510 Base-Backbone interact. energy: -0.004 local terms energy: -34.233298 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -4.093 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: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -53.628623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.628623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.628623 (E_RNA) where: Base-Base interactions energy: -20.026 where: short stacking energy: -20.026 Base-Backbone interact. energy: -0.012 local terms energy: -33.590119 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -49.796229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.796229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.796229 (E_RNA) where: Base-Base interactions energy: -14.012 where: short stacking energy: -14.012 Base-Backbone interact. energy: -0.065 local terms energy: -35.719109 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -52.355974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.355974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.355974 (E_RNA) where: Base-Base interactions energy: -17.385 where: short stacking energy: -16.732 Base-Backbone interact. energy: -0.041 local terms energy: -34.929644 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -6.380 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: 7, replica: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -51.282920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.282920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.282920 (E_RNA) where: Base-Base interactions energy: -17.626 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.071 local terms energy: -33.585042 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -48.883515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.883515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.883515 (E_RNA) where: Base-Base interactions energy: -20.621 where: short stacking energy: -20.621 Base-Backbone interact. energy: -0.023 local terms energy: -28.239487 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -5.088 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -4.584 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: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -41.549923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549923 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.094 local terms energy: -28.880413 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -6.546 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: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -39.123305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.123305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.123305 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -10.091 Base-Backbone interact. energy: -0.244 local terms energy: -28.787763 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -62.795450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.795450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.795450 (E_RNA) where: Base-Base interactions energy: -36.175 where: short stacking energy: -25.621 Base-Backbone interact. energy: -0.668 local terms energy: -25.952342 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -4.695 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -59.590046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.590046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.590046 (E_RNA) where: Base-Base interactions energy: -23.215 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.000 local terms energy: -36.375015 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.416 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: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -63.559218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.559218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.559218 (E_RNA) where: Base-Base interactions energy: -27.539 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.000 local terms energy: -36.019820 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -57.072171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.072171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.072171 (E_RNA) where: Base-Base interactions energy: -26.984 where: short stacking energy: -20.443 Base-Backbone interact. energy: 0.186 local terms energy: -30.274070 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -61.833756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.833756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.833756 (E_RNA) where: Base-Base interactions energy: -30.798 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.000 local terms energy: -31.035531 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -4.212 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: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -50.127281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.127281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.127281 (E_RNA) where: Base-Base interactions energy: -18.028 where: short stacking energy: -16.520 Base-Backbone interact. energy: -0.131 local terms energy: -31.968098 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -6.703 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: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -52.579350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.579350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.579350 (E_RNA) where: Base-Base interactions energy: -22.345 where: short stacking energy: -22.345 Base-Backbone interact. energy: -0.000 local terms energy: -30.234205 where: bonds (distance) C4'-P energy: -3.741 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -44.751943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.751943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.751943 (E_RNA) where: Base-Base interactions energy: -13.959 where: short stacking energy: -13.959 Base-Backbone interact. energy: -0.010 local terms energy: -30.782434 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -5.391 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: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -45.171373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.171373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.171373 (E_RNA) where: Base-Base interactions energy: -16.412 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.088 local terms energy: -28.670796 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -42.576234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.576234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.576234 (E_RNA) where: Base-Base interactions energy: -17.057 where: short stacking energy: -17.057 Base-Backbone interact. energy: -0.092 local terms energy: -25.427655 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -2.335 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: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -75.579109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.579109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.579109 (E_RNA) where: Base-Base interactions energy: -42.122 where: short stacking energy: -27.205 Base-Backbone interact. energy: -0.003 local terms energy: -33.454130 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -6.498 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: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -67.436044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.436044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.436044 (E_RNA) where: Base-Base interactions energy: -31.924 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.362 local terms energy: -35.149757 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -59.823757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823757 (E_RNA) where: Base-Base interactions energy: -27.777 where: short stacking energy: -27.777 Base-Backbone interact. energy: -0.082 local terms energy: -31.964920 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -47.695003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.695003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.695003 (E_RNA) where: Base-Base interactions energy: -19.680 where: short stacking energy: -15.332 Base-Backbone interact. energy: -0.032 local terms energy: -27.983027 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -2.257 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: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -51.833384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.833384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.833384 (E_RNA) where: Base-Base interactions energy: -20.978 where: short stacking energy: -20.978 Base-Backbone interact. energy: -0.000 local terms energy: -30.855296 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -4.646 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: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -44.832233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.832233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.832233 (E_RNA) where: Base-Base interactions energy: -21.659 where: short stacking energy: -21.659 Base-Backbone interact. energy: -0.175 local terms energy: -22.998517 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -0.963 flat angles P-C4'-P energy: -4.791 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: 7, replica: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -41.139688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.139688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.139688 (E_RNA) where: Base-Base interactions energy: -18.516 where: short stacking energy: -18.516 Base-Backbone interact. energy: 0.397 local terms energy: -23.020674 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.006 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: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -50.377492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.377492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.377492 (E_RNA) where: Base-Base interactions energy: -24.482 where: short stacking energy: -16.058 Base-Backbone interact. energy: -0.483 local terms energy: -25.412541 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -41.921269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.921269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.921269 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.416 local terms energy: -30.326005 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -46.922604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.922604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.922604 (E_RNA) where: Base-Base interactions energy: -17.355 where: short stacking energy: -15.653 Base-Backbone interact. energy: -0.000 local terms energy: -29.568005 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -4.163 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -83.709090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.709090 (E_RNA) where: Base-Base interactions energy: -50.263 where: short stacking energy: -27.632 Base-Backbone interact. energy: 1.286 local terms energy: -34.731768 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -65.840204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.840204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.840204 (E_RNA) where: Base-Base interactions energy: -29.694 where: short stacking energy: -29.694 Base-Backbone interact. energy: -0.000 local terms energy: -36.146285 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -7.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -56.486748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.486748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.486748 (E_RNA) where: Base-Base interactions energy: -21.449 where: short stacking energy: -21.449 Base-Backbone interact. energy: -0.005 local terms energy: -35.033511 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -5.623 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -64.451818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.451818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.451818 (E_RNA) where: Base-Base interactions energy: -30.103 where: short stacking energy: -30.103 Base-Backbone interact. energy: -0.304 local terms energy: -34.045065 where: bonds (distance) C4'-P energy: -3.870 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -50.439985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.439985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.439985 (E_RNA) where: Base-Base interactions energy: -22.207 where: short stacking energy: -18.546 Base-Backbone interact. energy: -0.092 local terms energy: -28.140627 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -6.355 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: 310 Temperature: 1.150000 Total energy: -48.495967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.495967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.495967 (E_RNA) where: Base-Base interactions energy: -20.513 where: short stacking energy: -20.513 Base-Backbone interact. energy: -0.001 local terms energy: -27.982523 where: bonds (distance) C4'-P energy: -2.925 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -51.257053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.257053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.257053 (E_RNA) where: Base-Base interactions energy: -21.866 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.001 local terms energy: -29.390287 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -5.938 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -48.596226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.596226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.596226 (E_RNA) where: Base-Base interactions energy: -21.894 where: short stacking energy: -15.147 Base-Backbone interact. energy: 0.110 local terms energy: -26.812051 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -45.989830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.989830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.989830 (E_RNA) where: Base-Base interactions energy: -14.480 where: short stacking energy: -14.480 Base-Backbone interact. energy: -0.002 local terms energy: -31.506958 where: bonds (distance) C4'-P energy: -5.406 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -52.344669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.344669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.344669 (E_RNA) where: Base-Base interactions energy: -25.145 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.002 local terms energy: -27.197380 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -3.426 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -80.391394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.391394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.391394 (E_RNA) where: Base-Base interactions energy: -45.968 where: short stacking energy: -26.939 Base-Backbone interact. energy: 0.099 local terms energy: -34.521871 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -59.356911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.356911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.356911 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -26.799 Base-Backbone interact. energy: -0.000 local terms energy: -32.557455 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -55.952036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.952036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.952036 (E_RNA) where: Base-Base interactions energy: -29.584 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.030 local terms energy: -26.337425 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -62.530609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.530609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.530609 (E_RNA) where: Base-Base interactions energy: -27.626 where: short stacking energy: -22.199 Base-Backbone interact. energy: -0.001 local terms energy: -34.903335 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -54.272232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.272232 (E_RNA) where: Base-Base interactions energy: -24.208 where: short stacking energy: -24.161 Base-Backbone interact. energy: -0.098 local terms energy: -29.966237 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.030 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: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -49.726736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.726736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.726736 (E_RNA) where: Base-Base interactions energy: -18.863 where: short stacking energy: -18.863 Base-Backbone interact. energy: -0.001 local terms energy: -30.863358 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -2.238 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: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -51.101971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.101971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.101971 (E_RNA) where: Base-Base interactions energy: -22.025 where: short stacking energy: -22.025 Base-Backbone interact. energy: -0.004 local terms energy: -29.073207 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -0.263 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: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -43.053048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.053048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.053048 (E_RNA) where: Base-Base interactions energy: -21.428 where: short stacking energy: -20.339 Base-Backbone interact. energy: -0.035 local terms energy: -21.589945 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -1.384 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -45.779638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779638 (E_RNA) where: Base-Base interactions energy: -19.934 where: short stacking energy: -19.934 Base-Backbone interact. energy: -0.004 local terms energy: -25.841318 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -39.138257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.138257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.138257 (E_RNA) where: Base-Base interactions energy: -14.114 where: short stacking energy: -14.114 Base-Backbone interact. energy: -0.043 local terms energy: -24.981508 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -75.723045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.723045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.723045 (E_RNA) where: Base-Base interactions energy: -44.805 where: short stacking energy: -26.417 Base-Backbone interact. energy: -0.022 local terms energy: -30.895744 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -78.491239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.491239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.491239 (E_RNA) where: Base-Base interactions energy: -42.971 where: short stacking energy: -34.459 Base-Backbone interact. energy: -0.001 local terms energy: -35.519139 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -70.040872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.040872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.040872 (E_RNA) where: Base-Base interactions energy: -33.006 where: short stacking energy: -33.006 Base-Backbone interact. energy: -0.000 local terms energy: -37.034822 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -11.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -70.210445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.210445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.210445 (E_RNA) where: Base-Base interactions energy: -33.717 where: short stacking energy: -22.414 Base-Backbone interact. energy: -0.035 local terms energy: -36.458109 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -60.351549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.351549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.351549 (E_RNA) where: Base-Base interactions energy: -24.402 where: short stacking energy: -24.402 Base-Backbone interact. energy: -0.001 local terms energy: -35.948617 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -6.763 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: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -53.122407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.122407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.122407 (E_RNA) where: Base-Base interactions energy: -19.324 where: short stacking energy: -19.324 Base-Backbone interact. energy: -0.000 local terms energy: -33.798485 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -9.306 flat angles P-C4'-P energy: -6.507 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: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -53.755553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.755553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.755553 (E_RNA) where: Base-Base interactions energy: -26.285 where: short stacking energy: -26.079 Base-Backbone interact. energy: -0.000 local terms energy: -27.470021 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -3.331 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -6.275 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -48.573724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.573724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.573724 (E_RNA) where: Base-Base interactions energy: -16.417 where: short stacking energy: -15.843 Base-Backbone interact. energy: -0.002 local terms energy: -32.154910 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -43.476221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476221 (E_RNA) where: Base-Base interactions energy: -18.406 where: short stacking energy: -12.745 Base-Backbone interact. energy: -0.476 local terms energy: -24.593580 where: bonds (distance) C4'-P energy: -2.831 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -2.142 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: 10, replica: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -36.937628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.937628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.937628 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.652 local terms energy: -27.029428 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.634 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: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -75.072106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.072106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.072106 (E_RNA) where: Base-Base interactions energy: -43.286 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.045 local terms energy: -31.740915 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -5.634 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: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -73.624896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.624896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.624896 (E_RNA) where: Base-Base interactions energy: -40.083 where: short stacking energy: -24.442 Base-Backbone interact. energy: -0.000 local terms energy: -33.541729 where: bonds (distance) C4'-P energy: -6.871 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -59.672222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.672222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.672222 (E_RNA) where: Base-Base interactions energy: -24.004 where: short stacking energy: -24.004 Base-Backbone interact. energy: -0.000 local terms energy: -35.668233 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -52.443336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.443336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.443336 (E_RNA) where: Base-Base interactions energy: -18.359 where: short stacking energy: -17.392 Base-Backbone interact. energy: -0.000 local terms energy: -34.084019 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -2.142 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -53.947526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.947526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.947526 (E_RNA) where: Base-Base interactions energy: -20.828 where: short stacking energy: -20.828 Base-Backbone interact. energy: -0.008 local terms energy: -33.111176 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -6.229 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: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -48.005618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.005618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.005618 (E_RNA) where: Base-Base interactions energy: -21.431 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.147 local terms energy: -26.427009 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: 0.648 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: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -52.661785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.661785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.661785 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -21.523 Base-Backbone interact. energy: -0.000 local terms energy: -31.137977 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -6.367 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: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -47.772166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.772166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.772166 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.200 local terms energy: -24.103525 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -5.041 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -42.363135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.363135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.363135 (E_RNA) where: Base-Base interactions energy: -10.661 where: short stacking energy: -10.661 Base-Backbone interact. energy: -0.009 local terms energy: -31.692851 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -51.726276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.726276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.726276 (E_RNA) where: Base-Base interactions energy: -18.758 where: short stacking energy: -18.046 Base-Backbone interact. energy: -0.001 local terms energy: -32.967977 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -71.993583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.993583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.993583 (E_RNA) where: Base-Base interactions energy: -38.680 where: short stacking energy: -22.868 Base-Backbone interact. energy: -0.000 local terms energy: -33.313636 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -66.046014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.046014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.046014 (E_RNA) where: Base-Base interactions energy: -33.070 where: short stacking energy: -33.070 Base-Backbone interact. energy: -0.000 local terms energy: -32.976105 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: 1.491 tors. eta vs tors. theta energy: -10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -57.860641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.860641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.860641 (E_RNA) where: Base-Base interactions energy: -26.305 where: short stacking energy: -26.305 Base-Backbone interact. energy: -0.000 local terms energy: -31.555664 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -60.195429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.195429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.195429 (E_RNA) where: Base-Base interactions energy: -29.975 where: short stacking energy: -21.244 Base-Backbone interact. energy: -0.056 local terms energy: -30.164257 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -46.920856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.920856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.920856 (E_RNA) where: Base-Base interactions energy: -17.306 where: short stacking energy: -15.890 Base-Backbone interact. energy: -0.025 local terms energy: -29.589457 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -4.421 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -6.109 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: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -47.114326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.114326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.114326 (E_RNA) where: Base-Base interactions energy: -20.551 where: short stacking energy: -13.290 Base-Backbone interact. energy: -0.276 local terms energy: -26.287277 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -4.450 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: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -52.527386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.527386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.527386 (E_RNA) where: Base-Base interactions energy: -28.550 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.151 local terms energy: -23.826810 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.541 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.458 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: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -53.970191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.970191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.970191 (E_RNA) where: Base-Base interactions energy: -25.116 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.091 local terms energy: -28.763939 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -6.007 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: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -56.173355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.173355 (E_RNA) where: Base-Base interactions energy: -29.704 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.285 local terms energy: -26.184061 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.513 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -4.368 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: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -45.376590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.376590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.376590 (E_RNA) where: Base-Base interactions energy: -17.634 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.018 local terms energy: -27.724233 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.613 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: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -63.091608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.091608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.091608 (E_RNA) where: Base-Base interactions energy: -31.623 where: short stacking energy: -18.710 Base-Backbone interact. energy: -0.197 local terms energy: -31.271611 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -61.460676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.460676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.460676 (E_RNA) where: Base-Base interactions energy: -27.061 where: short stacking energy: -27.061 Base-Backbone interact. energy: -0.000 local terms energy: -34.399782 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -52.240247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.240247 (E_RNA) where: Base-Base interactions energy: -22.215 where: short stacking energy: -22.215 Base-Backbone interact. energy: -0.010 local terms energy: -30.014832 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -6.275 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -63.703313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.703313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.703313 (E_RNA) where: Base-Base interactions energy: -27.139 where: short stacking energy: -24.359 Base-Backbone interact. energy: -0.064 local terms energy: -36.500023 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -52.514159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.514159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.514159 (E_RNA) where: Base-Base interactions energy: -19.853 where: short stacking energy: -19.255 Base-Backbone interact. energy: -0.091 local terms energy: -32.569630 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.945 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: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -59.084752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.084752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.084752 (E_RNA) where: Base-Base interactions energy: -24.170 where: short stacking energy: -24.170 Base-Backbone interact. energy: -0.022 local terms energy: -34.892732 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -46.925946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.925946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.925946 (E_RNA) where: Base-Base interactions energy: -17.376 where: short stacking energy: -14.683 Base-Backbone interact. energy: -0.001 local terms energy: -29.549069 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -50.503813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.503813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.503813 (E_RNA) where: Base-Base interactions energy: -22.104 where: short stacking energy: -12.781 Base-Backbone interact. energy: -0.000 local terms energy: -28.399303 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -5.006 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.337 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -45.673882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.673882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.673882 (E_RNA) where: Base-Base interactions energy: -16.085 where: short stacking energy: -15.663 Base-Backbone interact. energy: -0.061 local terms energy: -29.528365 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -1.718 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -47.244428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.244428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.244428 (E_RNA) where: Base-Base interactions energy: -20.814 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.000 local terms energy: -26.430201 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -65.664242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.664242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.664242 (E_RNA) where: Base-Base interactions energy: -34.107 where: short stacking energy: -21.819 Base-Backbone interact. energy: -0.067 local terms energy: -31.489868 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -6.804 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: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -62.822266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.822266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.822266 (E_RNA) where: Base-Base interactions energy: -26.678 where: short stacking energy: -26.678 Base-Backbone interact. energy: -0.001 local terms energy: -36.142883 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -6.226 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: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -53.530452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.530452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.530452 (E_RNA) where: Base-Base interactions energy: -21.709 where: short stacking energy: -15.182 Base-Backbone interact. energy: -0.077 local terms energy: -31.743915 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -58.253891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.253891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.253891 (E_RNA) where: Base-Base interactions energy: -25.180 where: short stacking energy: -25.180 Base-Backbone interact. energy: -0.000 local terms energy: -33.073294 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -4.228 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: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -57.645034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.645034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.645034 (E_RNA) where: Base-Base interactions energy: -24.761 where: short stacking energy: -24.761 Base-Backbone interact. energy: -0.009 local terms energy: -32.875225 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -57.627635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.627635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.627635 (E_RNA) where: Base-Base interactions energy: -27.988 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.001 local terms energy: -29.639059 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -45.416156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.416156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.416156 (E_RNA) where: Base-Base interactions energy: -20.673 where: short stacking energy: -13.870 Base-Backbone interact. energy: -0.110 local terms energy: -24.633114 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -46.984184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.984184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.984184 (E_RNA) where: Base-Base interactions energy: -18.845 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.054 local terms energy: -28.085311 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.909 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: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -51.595568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.595568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.595568 (E_RNA) where: Base-Base interactions energy: -22.014 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.022 local terms energy: -29.559605 where: bonds (distance) C4'-P energy: -5.389 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -40.423057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.423057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.423057 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.001 local terms energy: -25.971382 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -61.476647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.476647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.476647 (E_RNA) where: Base-Base interactions energy: -27.982 where: short stacking energy: -15.703 Base-Backbone interact. energy: -0.014 local terms energy: -33.480679 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -6.733 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: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -63.954830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.954830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.954830 (E_RNA) where: Base-Base interactions energy: -26.203 where: short stacking energy: -26.203 Base-Backbone interact. energy: -0.000 local terms energy: -37.751674 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -9.073 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: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -54.995227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.995227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.995227 (E_RNA) where: Base-Base interactions energy: -21.120 where: short stacking energy: -21.120 Base-Backbone interact. energy: 0.245 local terms energy: -34.119931 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -55.196582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.196582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.196582 (E_RNA) where: Base-Base interactions energy: -28.877 where: short stacking energy: -16.443 Base-Backbone interact. energy: -0.029 local terms energy: -26.290324 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -2.017 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: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -50.318549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.318549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.318549 (E_RNA) where: Base-Base interactions energy: -17.573 where: short stacking energy: -17.573 Base-Backbone interact. energy: -0.012 local terms energy: -32.733604 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.772 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: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -47.517792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.517792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.517792 (E_RNA) where: Base-Base interactions energy: -18.964 where: short stacking energy: -18.964 Base-Backbone interact. energy: -0.032 local terms energy: -28.522234 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -6.450 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: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -52.598720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.598720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.598720 (E_RNA) where: Base-Base interactions energy: -23.074 where: short stacking energy: -22.126 Base-Backbone interact. energy: -0.082 local terms energy: -29.442455 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -2.458 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: 317 Temperature: 1.250000 Total energy: -48.851823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.851823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.851823 (E_RNA) where: Base-Base interactions energy: -20.777 where: short stacking energy: -15.686 Base-Backbone interact. energy: -0.001 local terms energy: -28.073578 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -5.471 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: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -46.961784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.961784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.961784 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -17.532 Base-Backbone interact. energy: -0.016 local terms energy: -29.414045 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -42.175133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.175133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.175133 (E_RNA) where: Base-Base interactions energy: -22.769 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.036 local terms energy: -19.369713 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -3.044 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -68.248400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.248400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.248400 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.001 local terms energy: -38.603155 where: bonds (distance) C4'-P energy: -8.905 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -58.583374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.583374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.583374 (E_RNA) where: Base-Base interactions energy: -25.567 where: short stacking energy: -21.892 Base-Backbone interact. energy: -1.947 local terms energy: -31.069274 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -57.908449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.908449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.908449 (E_RNA) where: Base-Base interactions energy: -24.142 where: short stacking energy: -11.751 Base-Backbone interact. energy: -0.093 local terms energy: -33.673968 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -49.393340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.393340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.393340 (E_RNA) where: Base-Base interactions energy: -21.078 where: short stacking energy: -21.078 Base-Backbone interact. energy: 1.497 local terms energy: -29.812124 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -5.257 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -53.491035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.491035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.491035 (E_RNA) where: Base-Base interactions energy: -18.965 where: short stacking energy: -18.965 Base-Backbone interact. energy: -0.097 local terms energy: -34.428418 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -45.487940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.487940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.487940 (E_RNA) where: Base-Base interactions energy: -17.114 where: short stacking energy: -17.114 Base-Backbone interact. energy: -0.016 local terms energy: -28.357515 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.756 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: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -55.062774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.062774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.062774 (E_RNA) where: Base-Base interactions energy: -17.795 where: short stacking energy: -16.046 Base-Backbone interact. energy: -0.001 local terms energy: -37.266871 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -48.705281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.705281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.705281 (E_RNA) where: Base-Base interactions energy: -20.359 where: short stacking energy: -20.359 Base-Backbone interact. energy: -0.005 local terms energy: -28.341929 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -6.512 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: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -47.142073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142073 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.002 local terms energy: -30.303550 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.647 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -6.385 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: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -48.706285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.706285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.706285 (E_RNA) where: Base-Base interactions energy: -16.892 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.200 local terms energy: -31.613485 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -8.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -67.288558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.288558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.288558 (E_RNA) where: Base-Base interactions energy: -33.020 where: short stacking energy: -23.415 Base-Backbone interact. energy: -0.710 local terms energy: -33.558570 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -8.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -62.023026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.023026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.023026 (E_RNA) where: Base-Base interactions energy: -30.740 where: short stacking energy: -19.064 Base-Backbone interact. energy: -0.012 local terms energy: -31.271100 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -7.015 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: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -58.088540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.088540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.088540 (E_RNA) where: Base-Base interactions energy: -27.226 where: short stacking energy: -18.790 Base-Backbone interact. energy: -0.048 local terms energy: -30.813993 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -66.931706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.931706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.931706 (E_RNA) where: Base-Base interactions energy: -35.076 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.031 local terms energy: -31.824694 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -50.718836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.718836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.718836 (E_RNA) where: Base-Base interactions energy: -26.014 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.000 local terms energy: -24.704419 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -0.857 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: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -53.919796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.919796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.919796 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -21.136 Base-Backbone interact. energy: -0.046 local terms energy: -32.738352 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -51.188873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.188873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.188873 (E_RNA) where: Base-Base interactions energy: -22.302 where: short stacking energy: -16.906 Base-Backbone interact. energy: -0.623 local terms energy: -28.263618 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -4.043 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: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -44.781972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.781972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.781972 (E_RNA) where: Base-Base interactions energy: -14.976 where: short stacking energy: -11.525 Base-Backbone interact. energy: 1.820 local terms energy: -31.626046 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -38.321620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.321620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.321620 (E_RNA) where: Base-Base interactions energy: -11.887 where: short stacking energy: -11.887 Base-Backbone interact. energy: 1.763 local terms energy: -28.196701 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -50.527764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.527764 (E_RNA) where: Base-Base interactions energy: -19.664 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.001 local terms energy: -30.861971 where: bonds (distance) C4'-P energy: -6.177 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -62.918039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.918039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.918039 (E_RNA) where: Base-Base interactions energy: -25.429 where: short stacking energy: -25.429 Base-Backbone interact. energy: -0.000 local terms energy: -37.488484 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -9.149 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: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -66.646557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.646557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.646557 (E_RNA) where: Base-Base interactions energy: -28.220 where: short stacking energy: -28.220 Base-Backbone interact. energy: -0.116 local terms energy: -38.311127 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -61.577870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.577870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.577870 (E_RNA) where: Base-Base interactions energy: -29.597 where: short stacking energy: -29.597 Base-Backbone interact. energy: -0.218 local terms energy: -31.762309 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -56.740904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.740904 (E_RNA) where: Base-Base interactions energy: -26.291 where: short stacking energy: -22.668 Base-Backbone interact. energy: -0.002 local terms energy: -30.447218 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -7.478 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: 320 Temperature: 1.100000 Total energy: -52.091513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.091513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.091513 (E_RNA) where: Base-Base interactions energy: -21.609 where: short stacking energy: -21.482 Base-Backbone interact. energy: -0.047 local terms energy: -30.435447 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -48.237166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.237166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.237166 (E_RNA) where: Base-Base interactions energy: -15.861 where: short stacking energy: -11.068 Base-Backbone interact. energy: -0.566 local terms energy: -31.809436 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -59.550151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.550151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.550151 (E_RNA) where: Base-Base interactions energy: -27.470 where: short stacking energy: -22.336 Base-Backbone interact. energy: 0.073 local terms energy: -32.152454 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -48.791384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.791384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.791384 (E_RNA) where: Base-Base interactions energy: -15.419 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.387 local terms energy: -32.985468 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -51.540443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.540443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.540443 (E_RNA) where: Base-Base interactions energy: -24.503 where: short stacking energy: -23.918 Base-Backbone interact. energy: -0.037 local terms energy: -27.000729 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -40.243164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243164 (E_RNA) where: Base-Base interactions energy: -12.028 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.041 local terms energy: -28.173648 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -79.952290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.952290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.952290 (E_RNA) where: Base-Base interactions energy: -46.591 where: short stacking energy: -27.073 Base-Backbone interact. energy: -0.004 local terms energy: -33.356929 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -6.931 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: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -60.376279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.376279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.376279 (E_RNA) where: Base-Base interactions energy: -33.531 where: short stacking energy: -26.039 Base-Backbone interact. energy: -0.019 local terms energy: -26.826009 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -5.682 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: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -68.330113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.330113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.330113 (E_RNA) where: Base-Base interactions energy: -36.660 where: short stacking energy: -23.760 Base-Backbone interact. energy: -0.025 local terms energy: -31.645360 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.816 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: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -62.063709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.063709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.063709 (E_RNA) where: Base-Base interactions energy: -35.433 where: short stacking energy: -26.314 Base-Backbone interact. energy: -0.001 local terms energy: -26.628878 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -1.085 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -47.819678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.819678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.819678 (E_RNA) where: Base-Base interactions energy: -13.399 where: short stacking energy: -13.399 Base-Backbone interact. energy: -0.000 local terms energy: -34.421133 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -59.987209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.987209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.987209 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -24.192 Base-Backbone interact. energy: -0.000 local terms energy: -35.794825 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -44.053763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.053763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.053763 (E_RNA) where: Base-Base interactions energy: -14.426 where: short stacking energy: -14.426 Base-Backbone interact. energy: -1.488 local terms energy: -28.139847 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -39.470850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.470850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.470850 (E_RNA) where: Base-Base interactions energy: -14.206 where: short stacking energy: -14.206 Base-Backbone interact. energy: -0.308 local terms energy: -24.957032 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.026 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: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -44.398583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.398583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.398583 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -12.101 Base-Backbone interact. energy: -0.077 local terms energy: -30.633487 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -47.097770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.097770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.097770 (E_RNA) where: Base-Base interactions energy: -17.921 where: short stacking energy: -17.921 Base-Backbone interact. energy: -0.005 local terms energy: -29.171643 where: bonds (distance) C4'-P energy: -4.926 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.572 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: 322 Temperature: 0.900000 Total energy: -80.339641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.339641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.339641 (E_RNA) where: Base-Base interactions energy: -48.094 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.006 local terms energy: -32.240473 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -61.203269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.203269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.203269 (E_RNA) where: Base-Base interactions energy: -24.556 where: short stacking energy: -24.556 Base-Backbone interact. energy: -0.000 local terms energy: -36.647183 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -59.398757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.398757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.398757 (E_RNA) where: Base-Base interactions energy: -26.885 where: short stacking energy: -26.885 Base-Backbone interact. energy: -0.001 local terms energy: -32.512204 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -54.639972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.639972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.639972 (E_RNA) where: Base-Base interactions energy: -20.399 where: short stacking energy: -16.791 Base-Backbone interact. energy: -0.000 local terms energy: -34.240605 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -6.776 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: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -53.286171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.286171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.286171 (E_RNA) where: Base-Base interactions energy: -18.047 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.002 local terms energy: -35.236406 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -56.161402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.161402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.161402 (E_RNA) where: Base-Base interactions energy: -28.710 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.060 local terms energy: -27.391910 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -6.987 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: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -44.364311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.364311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.364311 (E_RNA) where: Base-Base interactions energy: -15.801 where: short stacking energy: -15.801 Base-Backbone interact. energy: -0.008 local terms energy: -28.554860 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -1.191 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: 322 Temperature: 1.250000 Total energy: -45.406243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.406243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.406243 (E_RNA) where: Base-Base interactions energy: -16.700 where: short stacking energy: -7.974 Base-Backbone interact. energy: -0.121 local terms energy: -28.585726 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -6.095 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: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -50.209534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.209534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.209534 (E_RNA) where: Base-Base interactions energy: -20.497 where: short stacking energy: -20.497 Base-Backbone interact. energy: -0.000 local terms energy: -29.712516 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.719 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: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -51.587077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.587077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.587077 (E_RNA) where: Base-Base interactions energy: -17.767 where: short stacking energy: -17.767 Base-Backbone interact. energy: 0.127 local terms energy: -33.947151 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -7.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -63.078152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.078152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.078152 (E_RNA) where: Base-Base interactions energy: -27.420 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.000 local terms energy: -35.658234 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -67.269863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.269863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.269863 (E_RNA) where: Base-Base interactions energy: -27.330 where: short stacking energy: -27.330 Base-Backbone interact. energy: -0.000 local terms energy: -39.940056 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.821 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -8.160 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: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -65.103591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.103591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.103591 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -26.975 Base-Backbone interact. energy: -0.000 local terms energy: -38.128690 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -54.929192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.929192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.929192 (E_RNA) where: Base-Base interactions energy: -23.528 where: short stacking energy: -23.528 Base-Backbone interact. energy: 0.052 local terms energy: -31.453922 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -58.406422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.406422 (E_RNA) where: Base-Base interactions energy: -23.229 where: short stacking energy: -23.229 Base-Backbone interact. energy: -0.000 local terms energy: -35.176964 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -4.224 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: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -50.278798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.278798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.278798 (E_RNA) where: Base-Base interactions energy: -22.798 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.017 local terms energy: -27.464203 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -4.897 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -47.327751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.327751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.327751 (E_RNA) where: Base-Base interactions energy: -19.484 where: short stacking energy: -16.928 Base-Backbone interact. energy: -0.844 local terms energy: -26.999478 where: bonds (distance) C4'-P energy: -3.196 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -5.487 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: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -46.857232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.857232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.857232 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.418 local terms energy: -30.137572 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -50.293908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.293908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.293908 (E_RNA) where: Base-Base interactions energy: -19.776 where: short stacking energy: -19.776 Base-Backbone interact. energy: -0.022 local terms energy: -30.496308 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -43.179717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.179717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.179717 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -14.062 Base-Backbone interact. energy: -0.013 local terms energy: -29.105376 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -3.704 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: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -65.616269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.616269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.616269 (E_RNA) where: Base-Base interactions energy: -30.066 where: short stacking energy: -30.066 Base-Backbone interact. energy: -0.000 local terms energy: -35.550417 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -9.677 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: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -60.697879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.697879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.697879 (E_RNA) where: Base-Base interactions energy: -26.951 where: short stacking energy: -26.951 Base-Backbone interact. energy: -0.000 local terms energy: -33.746327 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -8.125 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: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -71.861643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.861643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.861643 (E_RNA) where: Base-Base interactions energy: -32.933 where: short stacking energy: -28.237 Base-Backbone interact. energy: -0.009 local terms energy: -38.920075 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -6.088 tors. eta vs tors. theta energy: -9.512 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: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -66.794827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.794827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.794827 (E_RNA) where: Base-Base interactions energy: -32.444 where: short stacking energy: -23.062 Base-Backbone interact. energy: -0.101 local terms energy: -34.249683 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.090 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -51.087910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.087910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.087910 (E_RNA) where: Base-Base interactions energy: -19.638 where: short stacking energy: -19.938 Base-Backbone interact. energy: -0.420 local terms energy: -31.030561 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -51.549511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.549511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.549511 (E_RNA) where: Base-Base interactions energy: -19.676 where: short stacking energy: -19.676 Base-Backbone interact. energy: -0.001 local terms energy: -31.872301 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -47.815705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.815705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.815705 (E_RNA) where: Base-Base interactions energy: -22.634 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.100 local terms energy: -25.081255 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -6.621 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -46.403296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.403296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.403296 (E_RNA) where: Base-Base interactions energy: -17.510 where: short stacking energy: -17.510 Base-Backbone interact. energy: -0.114 local terms energy: -28.780021 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -1.827 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: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -48.460221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.460221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.460221 (E_RNA) where: Base-Base interactions energy: -18.121 where: short stacking energy: -18.121 Base-Backbone interact. energy: -0.001 local terms energy: -30.337566 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -46.994192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.994192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.994192 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -17.728 Base-Backbone interact. energy: -0.016 local terms energy: -28.179381 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -68.911443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.911443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.911443 (E_RNA) where: Base-Base interactions energy: -29.809 where: short stacking energy: -26.000 Base-Backbone interact. energy: -0.000 local terms energy: -39.102105 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -6.850 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: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -73.282762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.282762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.282762 (E_RNA) where: Base-Base interactions energy: -37.152 where: short stacking energy: -32.951 Base-Backbone interact. energy: -0.003 local terms energy: -36.127925 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -72.031416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.031416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.031416 (E_RNA) where: Base-Base interactions energy: -35.808 where: short stacking energy: -32.203 Base-Backbone interact. energy: -0.000 local terms energy: -36.223531 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -9.065 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -46.688146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.688146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.688146 (E_RNA) where: Base-Base interactions energy: -17.664 where: short stacking energy: -17.664 Base-Backbone interact. energy: -0.000 local terms energy: -29.023609 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -0.635 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -55.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.876321 (E_RNA) where: Base-Base interactions energy: -25.034 where: short stacking energy: -25.034 Base-Backbone interact. energy: -0.052 local terms energy: -30.790194 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -7.578 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: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -49.313417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.313417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.313417 (E_RNA) where: Base-Base interactions energy: -20.177 where: short stacking energy: -20.177 Base-Backbone interact. energy: -0.000 local terms energy: -29.136457 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -6.289 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: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -49.852242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.852242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.852242 (E_RNA) where: Base-Base interactions energy: -21.982 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.075 local terms energy: -27.794602 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -4.237 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: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -42.738068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.738068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.738068 (E_RNA) where: Base-Base interactions energy: -15.171 where: short stacking energy: -15.171 Base-Backbone interact. energy: -0.986 local terms energy: -26.581190 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.901 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: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -44.946592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.946592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.946592 (E_RNA) where: Base-Base interactions energy: -17.693 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.073 local terms energy: -27.181326 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -47.027359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.027359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.027359 (E_RNA) where: Base-Base interactions energy: -17.321 where: short stacking energy: -17.321 Base-Backbone interact. energy: -0.003 local terms energy: -29.702898 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -71.545762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.545762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.545762 (E_RNA) where: Base-Base interactions energy: -35.463 where: short stacking energy: -28.156 Base-Backbone interact. energy: -0.419 local terms energy: -35.663777 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -72.265438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.265438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.265438 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.000 local terms energy: -40.097629 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -10.260 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: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -60.317157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.317157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.317157 (E_RNA) where: Base-Base interactions energy: -27.939 where: short stacking energy: -27.939 Base-Backbone interact. energy: 0.142 local terms energy: -32.520392 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -54.792826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.792826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.792826 (E_RNA) where: Base-Base interactions energy: -24.625 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.108 local terms energy: -30.059067 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -48.475570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.475570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.475570 (E_RNA) where: Base-Base interactions energy: -18.030 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.093 local terms energy: -30.352631 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -3.566 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: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -51.397373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.397373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.397373 (E_RNA) where: Base-Base interactions energy: -18.618 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.001 local terms energy: -32.778579 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -48.083885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.083885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.083885 (E_RNA) where: Base-Base interactions energy: -21.285 where: short stacking energy: -16.398 Base-Backbone interact. energy: -0.036 local terms energy: -26.762777 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.644 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: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -43.884503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.884503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.884503 (E_RNA) where: Base-Base interactions energy: -13.735 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.000 local terms energy: -30.149370 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -44.743420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743420 (E_RNA) where: Base-Base interactions energy: -17.431 where: short stacking energy: -17.878 Base-Backbone interact. energy: 1.256 local terms energy: -28.568103 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -5.447 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -48.629164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.629164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.629164 (E_RNA) where: Base-Base interactions energy: -19.342 where: short stacking energy: -19.012 Base-Backbone interact. energy: -0.000 local terms energy: -29.286551 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -6.509 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: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -64.370708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.370708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.370708 (E_RNA) where: Base-Base interactions energy: -27.670 where: short stacking energy: -27.670 Base-Backbone interact. energy: -0.000 local terms energy: -36.700139 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -64.886268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.886268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.886268 (E_RNA) where: Base-Base interactions energy: -28.304 where: short stacking energy: -28.304 Base-Backbone interact. energy: -0.000 local terms energy: -36.581782 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -59.954144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.954144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.954144 (E_RNA) where: Base-Base interactions energy: -25.739 where: short stacking energy: -25.739 Base-Backbone interact. energy: -0.084 local terms energy: -34.131665 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -55.357042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.357042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.357042 (E_RNA) where: Base-Base interactions energy: -22.564 where: short stacking energy: -20.311 Base-Backbone interact. energy: -0.001 local terms energy: -32.791456 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -54.381720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.381720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.381720 (E_RNA) where: Base-Base interactions energy: -20.280 where: short stacking energy: -15.752 Base-Backbone interact. energy: -0.047 local terms energy: -34.053977 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -45.031576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.031576 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.063 local terms energy: -33.002334 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -7.111 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: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -50.247966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.247966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.247966 (E_RNA) where: Base-Base interactions energy: -20.041 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.003 local terms energy: -30.204284 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -50.437866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.437866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.437866 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -13.542 Base-Backbone interact. energy: -0.127 local terms energy: -26.650463 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -3.120 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: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -45.379691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.379691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.379691 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.755 local terms energy: -31.296953 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: 0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -37.667349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.667349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.667349 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -11.532 Base-Backbone interact. energy: -0.031 local terms energy: -26.104591 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -66.944559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.944559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.944559 (E_RNA) where: Base-Base interactions energy: -30.818 where: short stacking energy: -29.753 Base-Backbone interact. energy: -0.025 local terms energy: -36.101691 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -63.305011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.305011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.305011 (E_RNA) where: Base-Base interactions energy: -30.771 where: short stacking energy: -25.906 Base-Backbone interact. energy: -0.004 local terms energy: -32.529681 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -58.945392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.945392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.945392 (E_RNA) where: Base-Base interactions energy: -25.528 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.093 local terms energy: -33.323548 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -6.855 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: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -58.614360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.614360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.614360 (E_RNA) where: Base-Base interactions energy: -22.359 where: short stacking energy: -20.220 Base-Backbone interact. energy: -0.000 local terms energy: -36.254702 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -57.625371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.625371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.625371 (E_RNA) where: Base-Base interactions energy: -24.596 where: short stacking energy: -24.596 Base-Backbone interact. energy: -0.003 local terms energy: -33.026321 where: bonds (distance) C4'-P energy: -5.390 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -53.308130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.308130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.308130 (E_RNA) where: Base-Base interactions energy: -21.751 where: short stacking energy: -20.125 Base-Backbone interact. energy: -0.081 local terms energy: -31.476168 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -43.682695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.682695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.682695 (E_RNA) where: Base-Base interactions energy: -21.320 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.051 local terms energy: -22.311096 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.698 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: 0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -47.319250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.319250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.319250 (E_RNA) where: Base-Base interactions energy: -21.679 where: short stacking energy: -21.679 Base-Backbone interact. energy: -0.001 local terms energy: -25.638735 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -4.869 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: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -40.672453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.672453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.672453 (E_RNA) where: Base-Base interactions energy: -14.732 where: short stacking energy: -11.829 Base-Backbone interact. energy: -0.123 local terms energy: -25.817825 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -54.698961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.698961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.698961 (E_RNA) where: Base-Base interactions energy: -22.354 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.048 local terms energy: -32.296788 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -6.296 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: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -76.672199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.672199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.672199 (E_RNA) where: Base-Base interactions energy: -37.309 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.000 local terms energy: -39.363288 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -55.974243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.974243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.974243 (E_RNA) where: Base-Base interactions energy: -20.800 where: short stacking energy: -20.800 Base-Backbone interact. energy: -0.004 local terms energy: -35.170256 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -64.730919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.730919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.730919 (E_RNA) where: Base-Base interactions energy: -28.720 where: short stacking energy: -27.598 Base-Backbone interact. energy: -0.000 local terms energy: -36.010868 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -61.413640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.413640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.413640 (E_RNA) where: Base-Base interactions energy: -26.012 where: short stacking energy: -26.012 Base-Backbone interact. energy: -0.022 local terms energy: -35.379938 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -47.050103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.050103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.050103 (E_RNA) where: Base-Base interactions energy: -19.194 where: short stacking energy: -19.194 Base-Backbone interact. energy: -0.011 local terms energy: -27.845354 where: bonds (distance) C4'-P energy: -2.600 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -55.541445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.541445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.541445 (E_RNA) where: Base-Base interactions energy: -21.894 where: short stacking energy: -21.894 Base-Backbone interact. energy: -0.000 local terms energy: -33.646863 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -49.434124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.434124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.434124 (E_RNA) where: Base-Base interactions energy: -18.724 where: short stacking energy: -18.724 Base-Backbone interact. energy: -0.005 local terms energy: -30.705474 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -41.622757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.622757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.622757 (E_RNA) where: Base-Base interactions energy: -14.823 where: short stacking energy: -14.823 Base-Backbone interact. energy: -0.008 local terms energy: -26.792085 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -3.360 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: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -42.174266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.174266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.174266 (E_RNA) where: Base-Base interactions energy: -16.027 where: short stacking energy: -14.970 Base-Backbone interact. energy: -0.099 local terms energy: -26.048640 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -49.713080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713080 (E_RNA) where: Base-Base interactions energy: -24.086 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.001 local terms energy: -25.626217 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -62.283046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.283046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.283046 (E_RNA) where: Base-Base interactions energy: -31.843 where: short stacking energy: -21.063 Base-Backbone interact. energy: -0.086 local terms energy: -30.354173 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -6.158 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: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -77.042244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.042244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.042244 (E_RNA) where: Base-Base interactions energy: -45.631 where: short stacking energy: -31.402 Base-Backbone interact. energy: -0.284 local terms energy: -31.127254 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -61.133207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.133207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.133207 (E_RNA) where: Base-Base interactions energy: -30.849 where: short stacking energy: -21.586 Base-Backbone interact. energy: 0.652 local terms energy: -30.936621 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -45.955181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.955181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.955181 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.011 local terms energy: -31.561844 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -47.168455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.168455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.168455 (E_RNA) where: Base-Base interactions energy: -18.588 where: short stacking energy: -18.588 Base-Backbone interact. energy: -0.017 local terms energy: -28.563854 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -52.118769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.118769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.118769 (E_RNA) where: Base-Base interactions energy: -20.956 where: short stacking energy: -20.956 Base-Backbone interact. energy: -0.033 local terms energy: -31.129504 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -46.993402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.993402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.993402 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.118 local terms energy: -28.628178 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.118 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: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -43.758750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.758750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.758750 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.001 local terms energy: -29.140574 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -6.855 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: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -46.379158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.379158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.379158 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.035 local terms energy: -30.612626 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -42.291223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.291223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.291223 (E_RNA) where: Base-Base interactions energy: -16.941 where: short stacking energy: -16.941 Base-Backbone interact. energy: -0.020 local terms energy: -25.330562 where: bonds (distance) C4'-P energy: -1.506 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -70.470379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.470379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.470379 (E_RNA) where: Base-Base interactions energy: -30.161 where: short stacking energy: -30.161 Base-Backbone interact. energy: -0.000 local terms energy: -40.309807 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -62.118547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.118547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.118547 (E_RNA) where: Base-Base interactions energy: -29.160 where: short stacking energy: -29.160 Base-Backbone interact. energy: -0.001 local terms energy: -32.957774 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -4.720 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: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -54.790207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.790207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.790207 (E_RNA) where: Base-Base interactions energy: -22.000 where: short stacking energy: -22.000 Base-Backbone interact. energy: -0.001 local terms energy: -32.789016 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -51.518410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.518410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.518410 (E_RNA) where: Base-Base interactions energy: -16.016 where: short stacking energy: -16.016 Base-Backbone interact. energy: 0.033 local terms energy: -35.535161 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -6.638 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: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -55.358906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.358906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.358906 (E_RNA) where: Base-Base interactions energy: -22.500 where: short stacking energy: -21.948 Base-Backbone interact. energy: -0.014 local terms energy: -32.844351 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -54.616194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.616194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.616194 (E_RNA) where: Base-Base interactions energy: -23.725 where: short stacking energy: -23.725 Base-Backbone interact. energy: -0.000 local terms energy: -30.891048 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -47.294612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.294612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.294612 (E_RNA) where: Base-Base interactions energy: -15.130 where: short stacking energy: -15.130 Base-Backbone interact. energy: -0.092 local terms energy: -32.073378 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -4.691 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: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -43.178424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.178424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.178424 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.101 local terms energy: -26.035971 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -5.834 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: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -40.272386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.272386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.272386 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.001 local terms energy: -28.429565 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -0.348 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: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -46.561181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.561181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.561181 (E_RNA) where: Base-Base interactions energy: -23.286 where: short stacking energy: -13.719 Base-Backbone interact. energy: -0.006 local terms energy: -23.269373 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.403 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -66.742089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.742089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.742089 (E_RNA) where: Base-Base interactions energy: -27.651 where: short stacking energy: -24.650 Base-Backbone interact. energy: -0.024 local terms energy: -39.066410 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -57.612779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.612779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.612779 (E_RNA) where: Base-Base interactions energy: -24.140 where: short stacking energy: -24.140 Base-Backbone interact. energy: -0.000 local terms energy: -33.472931 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -63.538706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.538706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.538706 (E_RNA) where: Base-Base interactions energy: -37.343 where: short stacking energy: -22.909 Base-Backbone interact. energy: -0.010 local terms energy: -26.185238 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -0.860 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: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -52.246308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.246308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.246308 (E_RNA) where: Base-Base interactions energy: -24.067 where: short stacking energy: -24.067 Base-Backbone interact. energy: -0.000 local terms energy: -28.178965 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -1.411 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: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -60.117207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.117207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.117207 (E_RNA) where: Base-Base interactions energy: -30.712 where: short stacking energy: -16.654 Base-Backbone interact. energy: 2.693 local terms energy: -32.097387 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -49.962574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.962574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.962574 (E_RNA) where: Base-Base interactions energy: -19.890 where: short stacking energy: -19.890 Base-Backbone interact. energy: -0.000 local terms energy: -30.072209 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -5.974 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: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -49.938757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.938757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.938757 (E_RNA) where: Base-Base interactions energy: -27.283 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.650 local terms energy: -22.005338 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -43.269387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.269387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.269387 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.021 local terms energy: -27.975250 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -45.155144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.155144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.155144 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.005 local terms energy: -29.767100 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -42.100144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.100144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.100144 (E_RNA) where: Base-Base interactions energy: -11.595 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.000 local terms energy: -30.504958 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -58.178937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.178937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.178937 (E_RNA) where: Base-Base interactions energy: -26.877 where: short stacking energy: -26.877 Base-Backbone interact. energy: -0.128 local terms energy: -31.173564 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -2.276 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: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -71.458204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.458204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.458204 (E_RNA) where: Base-Base interactions energy: -33.304 where: short stacking energy: -33.304 Base-Backbone interact. energy: -0.000 local terms energy: -38.154466 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -9.797 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: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -68.048073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.048073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.048073 (E_RNA) where: Base-Base interactions energy: -39.782 where: short stacking energy: -14.565 Base-Backbone interact. energy: -0.703 local terms energy: -27.563021 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -5.746 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: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -70.450166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.450166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.450166 (E_RNA) where: Base-Base interactions energy: -36.040 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.110 local terms energy: -34.300905 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -57.998323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.998323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.998323 (E_RNA) where: Base-Base interactions energy: -26.860 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.024 local terms energy: -31.113881 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -7.571 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: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -54.453912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.453912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.453912 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -21.099 Base-Backbone interact. energy: -0.003 local terms energy: -33.352473 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -7.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -46.188162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.188162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.188162 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -10.072 Base-Backbone interact. energy: -0.157 local terms energy: -26.957783 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -44.496653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.496653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.496653 (E_RNA) where: Base-Base interactions energy: -17.302 where: short stacking energy: -17.302 Base-Backbone interact. energy: -0.001 local terms energy: -27.193189 where: bonds (distance) C4'-P energy: -5.522 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -5.013 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: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -41.611665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.611665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.611665 (E_RNA) where: Base-Base interactions energy: -15.376 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.091 local terms energy: -26.144174 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.603 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: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -45.386218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.386218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.386218 (E_RNA) where: Base-Base interactions energy: -16.038 where: short stacking energy: -16.168 Base-Backbone interact. energy: -0.004 local terms energy: -29.344841 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -3.402 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: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -67.095804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.095804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.095804 (E_RNA) where: Base-Base interactions energy: -30.422 where: short stacking energy: -30.422 Base-Backbone interact. energy: -0.000 local terms energy: -36.674064 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -8.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -62.645285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.645285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.645285 (E_RNA) where: Base-Base interactions energy: -25.251 where: short stacking energy: -25.251 Base-Backbone interact. energy: -0.003 local terms energy: -37.391579 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -7.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -63.031278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.031278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.031278 (E_RNA) where: Base-Base interactions energy: -31.623 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.029 local terms energy: -31.379483 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -69.925393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.925393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.925393 (E_RNA) where: Base-Base interactions energy: -43.818 where: short stacking energy: -16.795 Base-Backbone interact. energy: -0.526 local terms energy: -25.581075 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -6.238 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: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -59.694093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.694093 (E_RNA) where: Base-Base interactions energy: -21.572 where: short stacking energy: -21.572 Base-Backbone interact. energy: -0.000 local terms energy: -38.122445 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -8.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -45.667759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.667759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.667759 (E_RNA) where: Base-Base interactions energy: -17.203 where: short stacking energy: -17.203 Base-Backbone interact. energy: 0.977 local terms energy: -29.442045 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -6.854 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: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -47.765740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.765740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.765740 (E_RNA) where: Base-Base interactions energy: -16.615 where: short stacking energy: -16.615 Base-Backbone interact. energy: -0.001 local terms energy: -31.150020 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -48.828462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.828462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.828462 (E_RNA) where: Base-Base interactions energy: -21.631 where: short stacking energy: -21.631 Base-Backbone interact. energy: -0.001 local terms energy: -27.196457 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -42.013858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.013858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.013858 (E_RNA) where: Base-Base interactions energy: -15.196 where: short stacking energy: -15.196 Base-Backbone interact. energy: -0.074 local terms energy: -26.743682 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -38.572860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.572860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.572860 (E_RNA) where: Base-Base interactions energy: -17.234 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.140 local terms energy: -21.199082 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.560 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: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -68.513583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.513583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.513583 (E_RNA) where: Base-Base interactions energy: -29.875 where: short stacking energy: -27.827 Base-Backbone interact. energy: -0.000 local terms energy: -38.638345 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -9.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -71.540874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.540874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.540874 (E_RNA) where: Base-Base interactions energy: -37.724 where: short stacking energy: -18.870 Base-Backbone interact. energy: 0.457 local terms energy: -34.273124 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -5.402 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: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -60.965559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.965559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.965559 (E_RNA) where: Base-Base interactions energy: -24.608 where: short stacking energy: -22.300 Base-Backbone interact. energy: -0.021 local terms energy: -36.335916 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -6.998 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: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -56.635402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.635402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.635402 (E_RNA) where: Base-Base interactions energy: -25.464 where: short stacking energy: -22.416 Base-Backbone interact. energy: -0.007 local terms energy: -31.164108 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -57.104967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.104967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.104967 (E_RNA) where: Base-Base interactions energy: -27.203 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.052 local terms energy: -29.850237 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -54.850515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.850515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.850515 (E_RNA) where: Base-Base interactions energy: -23.241 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.000 local terms energy: -31.608835 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -3.014 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: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -49.656620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.656620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.656620 (E_RNA) where: Base-Base interactions energy: -19.909 where: short stacking energy: -15.548 Base-Backbone interact. energy: -0.007 local terms energy: -29.740381 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -6.781 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -43.544371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.544371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.544371 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.008 local terms energy: -30.732461 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -35.800551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800551 (E_RNA) where: Base-Base interactions energy: -7.022 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.027 local terms energy: -28.750890 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -7.419 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: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -39.661340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.661340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.661340 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.001 local terms energy: -29.061923 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: 1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -70.259158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.259158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.259158 (E_RNA) where: Base-Base interactions energy: -33.345 where: short stacking energy: -33.345 Base-Backbone interact. energy: -0.001 local terms energy: -36.913440 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -8.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -74.937827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.937827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.937827 (E_RNA) where: Base-Base interactions energy: -41.229 where: short stacking energy: -25.992 Base-Backbone interact. energy: -0.001 local terms energy: -33.708288 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -5.806 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: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -78.486909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.486909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.486909 (E_RNA) where: Base-Base interactions energy: -44.450 where: short stacking energy: -24.099 Base-Backbone interact. energy: -0.015 local terms energy: -34.022425 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -55.283460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.283460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.283460 (E_RNA) where: Base-Base interactions energy: -26.730 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.039 local terms energy: -28.514082 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.687 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: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -55.028029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.028029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.028029 (E_RNA) where: Base-Base interactions energy: -24.163 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.001 local terms energy: -30.864451 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -47.143648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.143648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.143648 (E_RNA) where: Base-Base interactions energy: -20.908 where: short stacking energy: -12.662 Base-Backbone interact. energy: -0.502 local terms energy: -25.733578 where: bonds (distance) C4'-P energy: -4.170 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: 0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -49.778481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.778481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.778481 (E_RNA) where: Base-Base interactions energy: -20.111 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.009 local terms energy: -29.658118 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -5.308 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: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -47.564079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.564079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.564079 (E_RNA) where: Base-Base interactions energy: -15.908 where: short stacking energy: -15.908 Base-Backbone interact. energy: -0.074 local terms energy: -31.581647 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -5.205 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: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -45.533071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.533071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.533071 (E_RNA) where: Base-Base interactions energy: -21.380 where: short stacking energy: -15.273 Base-Backbone interact. energy: 0.159 local terms energy: -24.312103 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -44.745355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745355 (E_RNA) where: Base-Base interactions energy: -20.782 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.707 local terms energy: -23.256097 where: bonds (distance) C4'-P energy: -5.476 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -66.968788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.968788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.968788 (E_RNA) where: Base-Base interactions energy: -36.249 where: short stacking energy: -17.818 Base-Backbone interact. energy: 0.507 local terms energy: -31.226824 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -5.971 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: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -74.273200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.273200 (E_RNA) where: Base-Base interactions energy: -44.699 where: short stacking energy: -26.789 Base-Backbone interact. energy: 0.295 local terms energy: -29.869165 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -77.209475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209475 (E_RNA) where: Base-Base interactions energy: -41.772 where: short stacking energy: -25.133 Base-Backbone interact. energy: -0.003 local terms energy: -35.434575 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -4.865 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: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -60.317022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.317022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.317022 (E_RNA) where: Base-Base interactions energy: -28.132 where: short stacking energy: -22.629 Base-Backbone interact. energy: -0.001 local terms energy: -32.183861 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.847 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: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -50.246973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.246973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.246973 (E_RNA) where: Base-Base interactions energy: -23.230 where: short stacking energy: -18.965 Base-Backbone interact. energy: -0.638 local terms energy: -26.378862 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -46.006157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.006157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.006157 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.063 local terms energy: -26.614134 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -0.691 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: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -45.169355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.169355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.169355 (E_RNA) where: Base-Base interactions energy: -14.489 where: short stacking energy: -12.522 Base-Backbone interact. energy: -0.001 local terms energy: -30.679613 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -55.001184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.001184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.001184 (E_RNA) where: Base-Base interactions energy: -22.418 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.000 local terms energy: -32.582368 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -45.126769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.126769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.126769 (E_RNA) where: Base-Base interactions energy: -15.777 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.018 local terms energy: -29.331693 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -3.768 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: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -41.218890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.218890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.218890 (E_RNA) where: Base-Base interactions energy: -14.487 where: short stacking energy: -14.487 Base-Backbone interact. energy: -0.003 local terms energy: -26.728909 where: bonds (distance) C4'-P energy: -4.355 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -2.947 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: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -77.224599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.224599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.224599 (E_RNA) where: Base-Base interactions energy: -39.634 where: short stacking energy: -27.780 Base-Backbone interact. energy: -0.009 local terms energy: -37.582534 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -8.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -77.078967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.078967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.078967 (E_RNA) where: Base-Base interactions energy: -42.566 where: short stacking energy: -25.937 Base-Backbone interact. energy: -0.004 local terms energy: -34.508567 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -57.294735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.294735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.294735 (E_RNA) where: Base-Base interactions energy: -20.422 where: short stacking energy: -19.147 Base-Backbone interact. energy: -0.026 local terms energy: -36.847489 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -6.384 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: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -58.247427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.247427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.247427 (E_RNA) where: Base-Base interactions energy: -28.359 where: short stacking energy: -22.622 Base-Backbone interact. energy: -0.085 local terms energy: -29.803524 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -55.994722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.994722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.994722 (E_RNA) where: Base-Base interactions energy: -26.037 where: short stacking energy: -17.957 Base-Backbone interact. energy: -0.005 local terms energy: -29.952688 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.066 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: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -58.455642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.455642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.455642 (E_RNA) where: Base-Base interactions energy: -31.406 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.024 local terms energy: -27.025591 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -54.137530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.137530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.137530 (E_RNA) where: Base-Base interactions energy: -20.662 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.002 local terms energy: -33.473530 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -49.596325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.596325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.596325 (E_RNA) where: Base-Base interactions energy: -19.662 where: short stacking energy: -18.981 Base-Backbone interact. energy: -0.032 local terms energy: -29.902122 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -40.738122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.738122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.738122 (E_RNA) where: Base-Base interactions energy: -17.686 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.078 local terms energy: -22.974541 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -2.428 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -1.905 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: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -40.354197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.354197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.354197 (E_RNA) where: Base-Base interactions energy: -15.661 where: short stacking energy: -15.661 Base-Backbone interact. energy: -0.019 local terms energy: -24.673823 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -1.727 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: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -69.335074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.335074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.335074 (E_RNA) where: Base-Base interactions energy: -38.990 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.010 local terms energy: -30.335458 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -5.039 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: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -57.624277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.624277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.624277 (E_RNA) where: Base-Base interactions energy: -24.544 where: short stacking energy: -24.544 Base-Backbone interact. energy: -0.099 local terms energy: -32.981307 where: bonds (distance) C4'-P energy: -5.327 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -60.111429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.111429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.111429 (E_RNA) where: Base-Base interactions energy: -27.248 where: short stacking energy: -27.248 Base-Backbone interact. energy: -0.012 local terms energy: -32.851388 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -56.156234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.156234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.156234 (E_RNA) where: Base-Base interactions energy: -21.984 where: short stacking energy: -21.984 Base-Backbone interact. energy: -0.001 local terms energy: -34.171512 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -6.361 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: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -52.306077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.306077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.306077 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.059 local terms energy: -31.179679 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.539 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: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -54.654522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.654522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.654522 (E_RNA) where: Base-Base interactions energy: -26.317 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.001 local terms energy: -28.335947 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.434 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -3.494 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: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -40.621963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.621963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.621963 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.001 local terms energy: -31.641679 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -5.285 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: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -43.026273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.026273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.026273 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -11.517 Base-Backbone interact. energy: -0.084 local terms energy: -30.283838 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -47.148763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.148763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.148763 (E_RNA) where: Base-Base interactions energy: -21.517 where: short stacking energy: -21.517 Base-Backbone interact. energy: -0.028 local terms energy: -25.603780 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -2.934 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: 10, replica: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -42.251508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.251508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.251508 (E_RNA) where: Base-Base interactions energy: -11.598 where: short stacking energy: -11.598 Base-Backbone interact. energy: -0.118 local terms energy: -30.535481 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -3.496 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: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -76.996522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.996522 (E_RNA) where: Base-Base interactions energy: -42.049 where: short stacking energy: -27.125 Base-Backbone interact. energy: -1.604 local terms energy: -33.343111 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -54.945640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.945640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.945640 (E_RNA) where: Base-Base interactions energy: -21.127 where: short stacking energy: -21.127 Base-Backbone interact. energy: 0.471 local terms energy: -34.289989 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -63.202504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.202504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.202504 (E_RNA) where: Base-Base interactions energy: -31.589 where: short stacking energy: -16.557 Base-Backbone interact. energy: -0.001 local terms energy: -31.612377 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -6.447 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: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -59.187547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.187547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.187547 (E_RNA) where: Base-Base interactions energy: -28.373 where: short stacking energy: -28.373 Base-Backbone interact. energy: -0.006 local terms energy: -30.808717 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -57.336003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.336003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.336003 (E_RNA) where: Base-Base interactions energy: -24.017 where: short stacking energy: -21.249 Base-Backbone interact. energy: -2.666 local terms energy: -30.652986 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -56.554369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.554369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.554369 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -21.493 Base-Backbone interact. energy: -0.516 local terms energy: -32.736029 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -45.312253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.312253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.312253 (E_RNA) where: Base-Base interactions energy: -15.895 where: short stacking energy: -10.151 Base-Backbone interact. energy: -0.770 local terms energy: -28.647863 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -43.445018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.445018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.445018 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.081 local terms energy: -30.560120 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -44.895362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.895362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.895362 (E_RNA) where: Base-Base interactions energy: -16.272 where: short stacking energy: -16.272 Base-Backbone interact. energy: -0.000 local terms energy: -28.622853 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -4.834 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: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -45.119980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.119980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.119980 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.139 Base-Backbone interact. energy: -0.015 local terms energy: -28.595431 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -3.062 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: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -74.546907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.546907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.546907 (E_RNA) where: Base-Base interactions energy: -37.900 where: short stacking energy: -26.788 Base-Backbone interact. energy: -0.061 local terms energy: -36.585526 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -8.391 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: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -73.162419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.162419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.162419 (E_RNA) where: Base-Base interactions energy: -35.824 where: short stacking energy: -35.824 Base-Backbone interact. energy: -0.000 local terms energy: -37.337854 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -10.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -56.355087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.355087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.355087 (E_RNA) where: Base-Base interactions energy: -22.511 where: short stacking energy: -22.511 Base-Backbone interact. energy: -0.065 local terms energy: -33.779208 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -54.717606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.717606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.717606 (E_RNA) where: Base-Base interactions energy: -22.592 where: short stacking energy: -22.592 Base-Backbone interact. energy: -0.001 local terms energy: -32.124833 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.286 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: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -47.596550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596550 (E_RNA) where: Base-Base interactions energy: -16.891 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.585 local terms energy: -30.120449 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -6.612 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: 6, replica: 10 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -56.550474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.550474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.550474 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.734 Base-Backbone interact. energy: -0.000 local terms energy: -34.016101 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -49.868584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.868584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.868584 (E_RNA) where: Base-Base interactions energy: -19.983 where: short stacking energy: -19.983 Base-Backbone interact. energy: -0.015 local terms energy: -29.871088 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.208 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: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -42.318877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.318877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.318877 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.132 local terms energy: -28.589476 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.949 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: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -40.422404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.422404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.422404 (E_RNA) where: Base-Base interactions energy: -18.955 where: short stacking energy: -18.955 Base-Backbone interact. energy: 1.765 local terms energy: -23.232982 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -2.809 flat angles P-C4'-P energy: -4.631 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: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -41.856769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.856769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.856769 (E_RNA) where: Base-Base interactions energy: -12.865 where: short stacking energy: -12.865 Base-Backbone interact. energy: -0.852 local terms energy: -28.140109 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -71.075874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.075874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.075874 (E_RNA) where: Base-Base interactions energy: -35.436 where: short stacking energy: -26.346 Base-Backbone interact. energy: -0.001 local terms energy: -35.638215 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -61.025028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.025028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.025028 (E_RNA) where: Base-Base interactions energy: -30.816 where: short stacking energy: -16.420 Base-Backbone interact. energy: -0.001 local terms energy: -30.208062 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -5.992 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: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -65.939950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.939950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.939950 (E_RNA) where: Base-Base interactions energy: -25.541 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.000 local terms energy: -40.398914 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -10.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -51.952206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.952206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.952206 (E_RNA) where: Base-Base interactions energy: -21.417 where: short stacking energy: -21.417 Base-Backbone interact. energy: -0.063 local terms energy: -30.471949 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -53.408564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.408564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.408564 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.000 local terms energy: -36.341692 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -6.796 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: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -52.657700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.657700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.657700 (E_RNA) where: Base-Base interactions energy: -27.865 where: short stacking energy: -14.849 Base-Backbone interact. energy: -0.110 local terms energy: -24.682304 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -3.931 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: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -44.640285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.640285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.640285 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.702 Base-Backbone interact. energy: -0.096 local terms energy: -31.842323 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -55.712955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.712955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.712955 (E_RNA) where: Base-Base interactions energy: -24.416 where: short stacking energy: -24.416 Base-Backbone interact. energy: -0.019 local terms energy: -31.277811 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.434 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: 342 Temperature: 1.300000 Total energy: -41.202309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.202309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.202309 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.059 local terms energy: -29.488787 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.644 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: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -37.581031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.581031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.581031 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -3.409 Base-Backbone interact. energy: -0.224 local terms energy: -25.516468 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.556 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: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -61.289065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.289065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.289065 (E_RNA) where: Base-Base interactions energy: -23.142 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.008 local terms energy: -38.138917 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -55.427155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.427155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.427155 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -25.967 Base-Backbone interact. energy: -0.051 local terms energy: -29.409127 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -2.450 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: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -61.838342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838342 (E_RNA) where: Base-Base interactions energy: -26.769 where: short stacking energy: -26.769 Base-Backbone interact. energy: -0.000 local terms energy: -35.069640 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -4.005 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: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -56.136684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.136684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.136684 (E_RNA) where: Base-Base interactions energy: -28.420 where: short stacking energy: -28.420 Base-Backbone interact. energy: -0.000 local terms energy: -27.716389 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -8.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -50.854101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.854101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.854101 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -20.517 Base-Backbone interact. energy: -0.007 local terms energy: -30.330179 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -53.377992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.377992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.377992 (E_RNA) where: Base-Base interactions energy: -24.075 where: short stacking energy: -24.075 Base-Backbone interact. energy: -0.000 local terms energy: -29.302582 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -3.191 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -53.570555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.570555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.570555 (E_RNA) where: Base-Base interactions energy: -19.944 where: short stacking energy: -19.944 Base-Backbone interact. energy: -0.034 local terms energy: -33.593073 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -42.904922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.904922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.904922 (E_RNA) where: Base-Base interactions energy: -13.261 where: short stacking energy: -13.261 Base-Backbone interact. energy: -0.137 local terms energy: -29.506779 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -45.728891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.728891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.728891 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.005 local terms energy: -33.559971 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -3.878 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: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -40.643107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.643107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.643107 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.001 local terms energy: -30.740599 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.797 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: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -70.957072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.957072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.957072 (E_RNA) where: Base-Base interactions energy: -31.609 where: short stacking energy: -31.609 Base-Backbone interact. energy: -0.007 local terms energy: -39.341099 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -62.454432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.454432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.454432 (E_RNA) where: Base-Base interactions energy: -29.224 where: short stacking energy: -29.224 Base-Backbone interact. energy: -0.002 local terms energy: -33.228576 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -3.608 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: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -55.745237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.745237 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.002 local terms energy: -31.128240 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -52.357252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.357252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.357252 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.014 local terms energy: -31.849565 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -56.006882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.006882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.006882 (E_RNA) where: Base-Base interactions energy: -23.026 where: short stacking energy: -23.026 Base-Backbone interact. energy: -0.030 local terms energy: -32.950751 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -54.566391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.566391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.566391 (E_RNA) where: Base-Base interactions energy: -20.272 where: short stacking energy: -20.272 Base-Backbone interact. energy: -0.000 local terms energy: -34.294694 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -52.433337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.433337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.433337 (E_RNA) where: Base-Base interactions energy: -26.093 where: short stacking energy: -18.817 Base-Backbone interact. energy: -0.003 local terms energy: -26.336684 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -4.149 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: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -48.424888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.424888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.424888 (E_RNA) where: Base-Base interactions energy: -22.710 where: short stacking energy: -22.710 Base-Backbone interact. energy: -0.066 local terms energy: -25.648548 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.917 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: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -54.395263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.395263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.395263 (E_RNA) where: Base-Base interactions energy: -25.050 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.008 local terms energy: -29.337481 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.772 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: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -42.417812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.417812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.417812 (E_RNA) where: Base-Base interactions energy: -17.903 where: short stacking energy: -17.903 Base-Backbone interact. energy: -0.028 local terms energy: -24.486675 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -72.695638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.695638 (E_RNA) where: Base-Base interactions energy: -30.496 where: short stacking energy: -30.496 Base-Backbone interact. energy: -0.000 local terms energy: -42.199293 where: bonds (distance) C4'-P energy: -8.760 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -11.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -60.943251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.943251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.943251 (E_RNA) where: Base-Base interactions energy: -26.860 where: short stacking energy: -26.860 Base-Backbone interact. energy: -0.000 local terms energy: -34.082809 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -51.363257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.363257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.363257 (E_RNA) where: Base-Base interactions energy: -20.073 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.013 local terms energy: -31.277635 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -5.562 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: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -54.201732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.201732 (E_RNA) where: Base-Base interactions energy: -17.861 where: short stacking energy: -17.861 Base-Backbone interact. energy: -0.033 local terms energy: -36.307982 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -53.716363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.716363 (E_RNA) where: Base-Base interactions energy: -26.914 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.594 local terms energy: -26.208985 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -55.739437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.739437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.739437 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -17.791 Base-Backbone interact. energy: -1.104 local terms energy: -36.844114 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -46.644593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.644593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.644593 (E_RNA) where: Base-Base interactions energy: -16.438 where: short stacking energy: -16.438 Base-Backbone interact. energy: -0.024 local terms energy: -30.182551 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -6.855 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: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -47.571414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.571414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.571414 (E_RNA) where: Base-Base interactions energy: -18.580 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.094 local terms energy: -28.897038 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -3.177 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: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -44.003630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.003630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.003630 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.000 local terms energy: -29.504562 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.757 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: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -38.473818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.473818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.473818 (E_RNA) where: Base-Base interactions energy: -13.898 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.001 local terms energy: -24.574796 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: 0.661 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: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -73.192479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.192479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.192479 (E_RNA) where: Base-Base interactions energy: -40.481 where: short stacking energy: -27.364 Base-Backbone interact. energy: -0.002 local terms energy: -32.710141 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -65.889630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.889630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.889630 (E_RNA) where: Base-Base interactions energy: -33.032 where: short stacking energy: -24.371 Base-Backbone interact. energy: 0.219 local terms energy: -33.076653 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -54.958448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.958448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.958448 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.000 local terms energy: -29.463691 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -69.921692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.921692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.921692 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -30.395 Base-Backbone interact. energy: -0.000 local terms energy: -39.526835 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -11.314 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: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -54.130143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.130143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.130143 (E_RNA) where: Base-Base interactions energy: -22.105 where: short stacking energy: -22.105 Base-Backbone interact. energy: -0.002 local terms energy: -32.023330 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.063 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: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -57.313163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.313163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.313163 (E_RNA) where: Base-Base interactions energy: -25.153 where: short stacking energy: -25.153 Base-Backbone interact. energy: -0.024 local terms energy: -32.135612 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -7.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -46.007809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.007809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.007809 (E_RNA) where: Base-Base interactions energy: -16.166 where: short stacking energy: -16.166 Base-Backbone interact. energy: -0.026 local terms energy: -29.816214 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -5.447 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: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -44.256540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.256540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.256540 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -12.415 Base-Backbone interact. energy: -0.353 local terms energy: -27.422773 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -45.779173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779173 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.007 local terms energy: -29.388747 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -4.597 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -40.860128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.860128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.860128 (E_RNA) where: Base-Base interactions energy: -17.817 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.123 local terms energy: -22.920593 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -2.523 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: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -71.880542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.880542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.880542 (E_RNA) where: Base-Base interactions energy: -37.942 where: short stacking energy: -26.706 Base-Backbone interact. energy: -0.002 local terms energy: -33.937310 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -68.701785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.701785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.701785 (E_RNA) where: Base-Base interactions energy: -38.086 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.001 local terms energy: -30.615185 where: bonds (distance) C4'-P energy: -3.270 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -7.384 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: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -50.008437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.008437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.008437 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.046 local terms energy: -33.496778 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -6.652 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: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -61.005669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.005669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.005669 (E_RNA) where: Base-Base interactions energy: -27.764 where: short stacking energy: -27.665 Base-Backbone interact. energy: -0.001 local terms energy: -33.240486 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.062 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -60.914876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.914876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.914876 (E_RNA) where: Base-Base interactions energy: -30.686 where: short stacking energy: -30.686 Base-Backbone interact. energy: -0.001 local terms energy: -30.227963 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -1.294 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -53.591998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.591998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.591998 (E_RNA) where: Base-Base interactions energy: -19.552 where: short stacking energy: -19.552 Base-Backbone interact. energy: -0.085 local terms energy: -33.954635 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -6.095 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: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -42.793331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.793331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.793331 (E_RNA) where: Base-Base interactions energy: -17.734 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.073 local terms energy: -24.986678 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -0.880 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: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -55.490121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.490121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.490121 (E_RNA) where: Base-Base interactions energy: -18.321 where: short stacking energy: -18.321 Base-Backbone interact. energy: -0.001 local terms energy: -37.167598 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -6.073 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: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -50.834614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.834614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.834614 (E_RNA) where: Base-Base interactions energy: -20.009 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.044 local terms energy: -30.781843 where: bonds (distance) C4'-P energy: -5.093 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -44.228538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.228538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.228538 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.948 Base-Backbone interact. energy: -0.015 local terms energy: -30.238022 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -69.577353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.577353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.577353 (E_RNA) where: Base-Base interactions energy: -30.621 where: short stacking energy: -30.621 Base-Backbone interact. energy: -0.000 local terms energy: -38.955870 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -9.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -62.885789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.885789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.885789 (E_RNA) where: Base-Base interactions energy: -27.839 where: short stacking energy: -27.839 Base-Backbone interact. energy: -0.053 local terms energy: -34.993449 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -65.714601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.714601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.714601 (E_RNA) where: Base-Base interactions energy: -34.111 where: short stacking energy: -34.075 Base-Backbone interact. energy: -0.000 local terms energy: -31.602982 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -61.419290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.419290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.419290 (E_RNA) where: Base-Base interactions energy: -27.954 where: short stacking energy: -27.954 Base-Backbone interact. energy: -0.000 local terms energy: -33.464992 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -7.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -60.012337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.012337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.012337 (E_RNA) where: Base-Base interactions energy: -27.772 where: short stacking energy: -20.081 Base-Backbone interact. energy: -0.011 local terms energy: -32.229156 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -6.168 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -7.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -48.619670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.619670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.619670 (E_RNA) where: Base-Base interactions energy: -21.607 where: short stacking energy: -21.607 Base-Backbone interact. energy: -0.045 local terms energy: -26.967297 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -56.438973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.438973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.438973 (E_RNA) where: Base-Base interactions energy: -26.468 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.001 local terms energy: -29.970450 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -47.176464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.176464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.176464 (E_RNA) where: Base-Base interactions energy: -23.112 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.696 local terms energy: -23.368116 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -48.945413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.945413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.945413 (E_RNA) where: Base-Base interactions energy: -16.742 where: short stacking energy: -16.742 Base-Backbone interact. energy: 0.474 local terms energy: -32.676506 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -46.398268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.398268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.398268 (E_RNA) where: Base-Base interactions energy: -16.718 where: short stacking energy: -16.324 Base-Backbone interact. energy: -0.002 local terms energy: -29.678747 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -69.647277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.647277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.647277 (E_RNA) where: Base-Base interactions energy: -34.857 where: short stacking energy: -26.291 Base-Backbone interact. energy: -0.003 local terms energy: -34.786707 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -5.882 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: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -68.288520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.288520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.288520 (E_RNA) where: Base-Base interactions energy: -31.222 where: short stacking energy: -31.222 Base-Backbone interact. energy: -0.000 local terms energy: -37.065934 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -10.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -70.134484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.134484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.134484 (E_RNA) where: Base-Base interactions energy: -37.297 where: short stacking energy: -22.786 Base-Backbone interact. energy: 0.687 local terms energy: -33.524202 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -66.480642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.480642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.480642 (E_RNA) where: Base-Base interactions energy: -34.109 where: short stacking energy: -28.817 Base-Backbone interact. energy: -0.048 local terms energy: -32.322994 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -56.366521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.366521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.366521 (E_RNA) where: Base-Base interactions energy: -26.110 where: short stacking energy: -20.686 Base-Backbone interact. energy: -0.100 local terms energy: -30.156128 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -62.017362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.017362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.017362 (E_RNA) where: Base-Base interactions energy: -25.200 where: short stacking energy: -25.200 Base-Backbone interact. energy: -0.000 local terms energy: -36.817815 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -46.209569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.209569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.209569 (E_RNA) where: Base-Base interactions energy: -17.832 where: short stacking energy: -17.832 Base-Backbone interact. energy: -0.002 local terms energy: -28.375325 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -44.040058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040058 (E_RNA) where: Base-Base interactions energy: -15.945 where: short stacking energy: -15.619 Base-Backbone interact. energy: -0.028 local terms energy: -28.066993 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -1.818 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: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -44.502633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.502633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.502633 (E_RNA) where: Base-Base interactions energy: -14.321 where: short stacking energy: -9.331 Base-Backbone interact. energy: -0.603 local terms energy: -29.578544 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -39.551892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551892 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.066 local terms energy: -27.182520 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -3.978 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: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -60.755166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.755166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.755166 (E_RNA) where: Base-Base interactions energy: -26.660 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.306 local terms energy: -33.788826 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.228 flat angles P-C4'-P energy: -5.827 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: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -56.007142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.007142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.007142 (E_RNA) where: Base-Base interactions energy: -28.839 where: short stacking energy: -22.153 Base-Backbone interact. energy: -0.003 local terms energy: -27.165924 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -3.056 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: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -71.358033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.358033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.358033 (E_RNA) where: Base-Base interactions energy: -41.693 where: short stacking energy: -15.736 Base-Backbone interact. energy: -0.085 local terms energy: -29.580126 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -52.190292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.190292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.190292 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.000 local terms energy: -31.640043 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -48.517662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.517662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.517662 (E_RNA) where: Base-Base interactions energy: -23.520 where: short stacking energy: -17.242 Base-Backbone interact. energy: -0.044 local terms energy: -24.954170 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: 1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -44.083965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.083965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.083965 (E_RNA) where: Base-Base interactions energy: -15.356 where: short stacking energy: -15.356 Base-Backbone interact. energy: -0.015 local terms energy: -28.712982 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -53.222354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.222354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.222354 (E_RNA) where: Base-Base interactions energy: -23.943 where: short stacking energy: -13.875 Base-Backbone interact. energy: -0.035 local terms energy: -29.244185 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -44.176706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.176706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.176706 (E_RNA) where: Base-Base interactions energy: -18.065 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.000 local terms energy: -26.111088 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -0.156 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: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -49.739275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.739275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.739275 (E_RNA) where: Base-Base interactions energy: -18.961 where: short stacking energy: -18.961 Base-Backbone interact. energy: -0.002 local terms energy: -30.776065 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.220 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -4.362 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: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -38.862735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.862735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.862735 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -8.867 Base-Backbone interact. energy: -0.006 local terms energy: -29.677988 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -72.165945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.165945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.165945 (E_RNA) where: Base-Base interactions energy: -38.510 where: short stacking energy: -26.562 Base-Backbone interact. energy: -0.045 local terms energy: -33.611122 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.233 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: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -63.404782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.404782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.404782 (E_RNA) where: Base-Base interactions energy: -28.302 where: short stacking energy: -28.302 Base-Backbone interact. energy: -0.016 local terms energy: -35.085885 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -59.239772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.239772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.239772 (E_RNA) where: Base-Base interactions energy: -26.151 where: short stacking energy: -26.151 Base-Backbone interact. energy: -0.073 local terms energy: -33.015652 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -8.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -50.321707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.321707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.321707 (E_RNA) where: Base-Base interactions energy: -16.722 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.018 local terms energy: -33.581646 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -48.335088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.335088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.335088 (E_RNA) where: Base-Base interactions energy: -16.918 where: short stacking energy: -16.918 Base-Backbone interact. energy: -0.020 local terms energy: -31.397307 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.370 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: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -50.093948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.093948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.093948 (E_RNA) where: Base-Base interactions energy: -18.432 where: short stacking energy: -18.432 Base-Backbone interact. energy: -0.043 local terms energy: -31.619239 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -5.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -51.965028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.965028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.965028 (E_RNA) where: Base-Base interactions energy: -22.260 where: short stacking energy: -18.239 Base-Backbone interact. energy: -0.094 local terms energy: -29.610674 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -4.125 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -45.631096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.631096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.631096 (E_RNA) where: Base-Base interactions energy: -19.520 where: short stacking energy: -18.572 Base-Backbone interact. energy: -0.090 local terms energy: -26.020906 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -5.892 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: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -38.306941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.306941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.306941 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.161 local terms energy: -27.926711 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.704 flat angles P-C4'-P energy: -3.524 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -45.570062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.570062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.570062 (E_RNA) where: Base-Base interactions energy: -18.991 where: short stacking energy: -18.991 Base-Backbone interact. energy: -0.357 local terms energy: -26.221702 where: bonds (distance) C4'-P energy: -2.238 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -84.461885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.461885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.461885 (E_RNA) where: Base-Base interactions energy: -48.004 where: short stacking energy: -25.814 Base-Backbone interact. energy: -0.001 local terms energy: -36.456852 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -69.319839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.319839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.319839 (E_RNA) where: Base-Base interactions energy: -34.641 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.000 local terms energy: -34.678975 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -4.368 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: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -59.422392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.422392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.422392 (E_RNA) where: Base-Base interactions energy: -28.952 where: short stacking energy: -28.952 Base-Backbone interact. energy: -0.000 local terms energy: -30.469617 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -6.623 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -51.854352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.854352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.854352 (E_RNA) where: Base-Base interactions energy: -21.288 where: short stacking energy: -20.139 Base-Backbone interact. energy: -0.285 local terms energy: -30.282038 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -2.237 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: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -54.723918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.723918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.723918 (E_RNA) where: Base-Base interactions energy: -21.949 where: short stacking energy: -21.949 Base-Backbone interact. energy: -0.057 local terms energy: -32.717815 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -6.401 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: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -47.337681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.337681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.337681 (E_RNA) where: Base-Base interactions energy: -19.731 where: short stacking energy: -18.815 Base-Backbone interact. energy: 0.413 local terms energy: -28.020311 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -6.493 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: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -46.934614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.934614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.934614 (E_RNA) where: Base-Base interactions energy: -18.697 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.003 local terms energy: -28.234628 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -43.454675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.454675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.454675 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.000 local terms energy: -30.994805 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -41.278543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.278543 (E_RNA) where: Base-Base interactions energy: -16.574 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.025 local terms energy: -24.680089 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -0.122 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: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -40.034984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.034984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.034984 (E_RNA) where: Base-Base interactions energy: -13.248 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.020 local terms energy: -26.766677 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -74.522938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.522938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.522938 (E_RNA) where: Base-Base interactions energy: -34.705 where: short stacking energy: -20.682 Base-Backbone interact. energy: -0.001 local terms energy: -39.817173 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -8.940 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: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -61.242471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.242471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.242471 (E_RNA) where: Base-Base interactions energy: -27.381 where: short stacking energy: -27.381 Base-Backbone interact. energy: -0.001 local terms energy: -33.860332 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -4.347 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: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -55.289879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.289879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.289879 (E_RNA) where: Base-Base interactions energy: -17.784 where: short stacking energy: -17.784 Base-Backbone interact. energy: -0.000 local terms energy: -37.506336 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -7.138 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: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -56.052012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.052012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.052012 (E_RNA) where: Base-Base interactions energy: -21.877 where: short stacking energy: -21.877 Base-Backbone interact. energy: -0.015 local terms energy: -34.160080 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -5.663 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: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -47.367726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.367726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.367726 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.006 local terms energy: -32.937295 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -43.610887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.610887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.610887 (E_RNA) where: Base-Base interactions energy: -16.514 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.001 local terms energy: -27.096413 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -48.943167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.943167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.943167 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.040 local terms energy: -34.319547 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -6.315 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -41.244557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.244557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.244557 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.096 local terms energy: -28.823467 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -46.633248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.633248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.633248 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -18.192 Base-Backbone interact. energy: -0.116 local terms energy: -28.070658 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -41.998139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.998139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.998139 (E_RNA) where: Base-Base interactions energy: -17.559 where: short stacking energy: -17.559 Base-Backbone interact. energy: -0.004 local terms energy: -24.435388 where: bonds (distance) C4'-P energy: -4.102 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: 0.519 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: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -66.862842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.862842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.862842 (E_RNA) where: Base-Base interactions energy: -33.051 where: short stacking energy: -26.348 Base-Backbone interact. energy: -0.541 local terms energy: -33.270439 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -5.303 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: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -76.776049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.776049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.776049 (E_RNA) where: Base-Base interactions energy: -46.054 where: short stacking energy: -23.113 Base-Backbone interact. energy: 0.981 local terms energy: -31.702872 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -5.450 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: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -56.034959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.034959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.034959 (E_RNA) where: Base-Base interactions energy: -23.261 where: short stacking energy: -23.261 Base-Backbone interact. energy: -0.000 local terms energy: -32.773861 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -52.102658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.102658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.102658 (E_RNA) where: Base-Base interactions energy: -21.174 where: short stacking energy: -21.174 Base-Backbone interact. energy: -0.025 local terms energy: -30.903915 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -5.298 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: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -63.780049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.780049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.780049 (E_RNA) where: Base-Base interactions energy: -31.755 where: short stacking energy: -31.755 Base-Backbone interact. energy: -0.000 local terms energy: -32.025411 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.049 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -8.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -52.765261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.765261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.765261 (E_RNA) where: Base-Base interactions energy: -20.288 where: short stacking energy: -20.288 Base-Backbone interact. energy: -0.114 local terms energy: -32.363278 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -39.802583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.802583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.802583 (E_RNA) where: Base-Base interactions energy: -13.827 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.008 local terms energy: -25.968274 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -3.629 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: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -49.488961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.488961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.488961 (E_RNA) where: Base-Base interactions energy: -23.409 where: short stacking energy: -23.409 Base-Backbone interact. energy: -0.000 local terms energy: -26.079684 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -0.940 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -46.697767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.697767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.697767 (E_RNA) where: Base-Base interactions energy: -23.204 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.029 local terms energy: -23.464874 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -5.817 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: 1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -44.155607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.155607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.155607 (E_RNA) where: Base-Base interactions energy: -12.597 where: short stacking energy: -12.597 Base-Backbone interact. energy: -0.070 local terms energy: -31.488250 where: bonds (distance) C4'-P energy: -4.774 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -79.922743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.922743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.922743 (E_RNA) where: Base-Base interactions energy: -42.100 where: short stacking energy: -32.832 Base-Backbone interact. energy: -0.100 local terms energy: -37.722323 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -83.340881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.340881 (E_RNA) where: Base-Base interactions energy: -50.253 where: short stacking energy: -24.361 Base-Backbone interact. energy: -0.112 local terms energy: -32.976131 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -55.720461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.720461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.720461 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -21.919 Base-Backbone interact. energy: -0.226 local terms energy: -32.690385 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -56.754838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.754838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.754838 (E_RNA) where: Base-Base interactions energy: -25.903 where: short stacking energy: -18.408 Base-Backbone interact. energy: -0.370 local terms energy: -30.481747 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.419 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: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -56.331287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.331287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.331287 (E_RNA) where: Base-Base interactions energy: -26.040 where: short stacking energy: -25.832 Base-Backbone interact. energy: 0.515 local terms energy: -30.805658 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -48.838758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.838758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.838758 (E_RNA) where: Base-Base interactions energy: -18.465 where: short stacking energy: -18.465 Base-Backbone interact. energy: -0.002 local terms energy: -30.372205 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.489 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: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -45.388811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.388811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.388811 (E_RNA) where: Base-Base interactions energy: -20.553 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.175 local terms energy: -24.661166 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -2.381 flat angles P-C4'-P energy: -5.665 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: 8, replica: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -59.815506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.815506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.815506 (E_RNA) where: Base-Base interactions energy: -30.868 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.202 local terms energy: -28.745673 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -1.216 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: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -43.434650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.434650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.434650 (E_RNA) where: Base-Base interactions energy: -15.391 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.001 local terms energy: -28.042329 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.927 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: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -43.153568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.153568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.153568 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.046 local terms energy: -29.948680 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -83.215560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.215560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.215560 (E_RNA) where: Base-Base interactions energy: -48.866 where: short stacking energy: -30.395 Base-Backbone interact. energy: -0.018 local terms energy: -34.331245 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -7.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -74.612088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.612088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.612088 (E_RNA) where: Base-Base interactions energy: -38.777 where: short stacking energy: -26.599 Base-Backbone interact. energy: -0.015 local terms energy: -35.820012 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -63.787390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.787390 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.034 local terms energy: -36.943092 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -9.469 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: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -51.506343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.506343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.506343 (E_RNA) where: Base-Base interactions energy: -22.979 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.059 local terms energy: -28.469044 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -54.184261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.184261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.184261 (E_RNA) where: Base-Base interactions energy: -21.584 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.000 local terms energy: -32.599768 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -59.510112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.510112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.510112 (E_RNA) where: Base-Base interactions energy: -25.732 where: short stacking energy: -25.732 Base-Backbone interact. energy: -0.004 local terms energy: -33.773550 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -44.598627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.598627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.598627 (E_RNA) where: Base-Base interactions energy: -14.211 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.086 local terms energy: -30.301959 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: 0.270 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: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -48.588144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.588144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.588144 (E_RNA) where: Base-Base interactions energy: -18.165 where: short stacking energy: -18.165 Base-Backbone interact. energy: -0.003 local terms energy: -30.420594 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -6.945 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -50.557379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.557379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.557379 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -18.017 Base-Backbone interact. energy: -0.000 local terms energy: -32.540368 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -6.495 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -38.525375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.525375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.525375 (E_RNA) where: Base-Base interactions energy: -8.290 where: short stacking energy: -8.290 Base-Backbone interact. energy: -0.107 local terms energy: -30.127833 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -4.763 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: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -66.005141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.005141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.005141 (E_RNA) where: Base-Base interactions energy: -28.988 where: short stacking energy: -28.988 Base-Backbone interact. energy: -0.009 local terms energy: -37.009121 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -83.187469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.187469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.187469 (E_RNA) where: Base-Base interactions energy: -44.234 where: short stacking energy: -30.012 Base-Backbone interact. energy: 0.268 local terms energy: -39.221027 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -66.869430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.869430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.869430 (E_RNA) where: Base-Base interactions energy: -30.249 where: short stacking energy: -30.249 Base-Backbone interact. energy: -0.000 local terms energy: -36.620127 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -9.250 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: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -64.546884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.546884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.546884 (E_RNA) where: Base-Base interactions energy: -27.574 where: short stacking energy: -27.574 Base-Backbone interact. energy: -0.000 local terms energy: -36.972401 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -64.344889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.344889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.344889 (E_RNA) where: Base-Base interactions energy: -28.034 where: short stacking energy: -28.034 Base-Backbone interact. energy: -0.000 local terms energy: -36.310937 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -57.944909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.944909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.944909 (E_RNA) where: Base-Base interactions energy: -29.643 where: short stacking energy: -21.724 Base-Backbone interact. energy: -0.000 local terms energy: -28.301425 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -5.040 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: 357 Temperature: 1.200000 Total energy: -50.268359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.268359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.268359 (E_RNA) where: Base-Base interactions energy: -20.960 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.001 local terms energy: -29.307439 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -49.641224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.641224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.641224 (E_RNA) where: Base-Base interactions energy: -24.688 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.320 local terms energy: -24.633219 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -44.099376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.099376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.099376 (E_RNA) where: Base-Base interactions energy: -20.917 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.005 local terms energy: -23.176794 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -4.770 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -39.065356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.065356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.065356 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.061 local terms energy: -27.176991 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -3.358 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -82.910516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.910516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.910516 (E_RNA) where: Base-Base interactions energy: -49.596 where: short stacking energy: -31.574 Base-Backbone interact. energy: -0.007 local terms energy: -33.307276 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -63.066384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.066384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.066384 (E_RNA) where: Base-Base interactions energy: -28.312 where: short stacking energy: -28.312 Base-Backbone interact. energy: -0.004 local terms energy: -34.750305 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -10.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -62.405600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.405600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.405600 (E_RNA) where: Base-Base interactions energy: -26.432 where: short stacking energy: -26.432 Base-Backbone interact. energy: -0.010 local terms energy: -35.963602 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -5.745 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: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -56.466024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.466024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.466024 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -24.024 Base-Backbone interact. energy: -0.031 local terms energy: -32.410825 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -5.218 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: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -55.786546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.786546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.786546 (E_RNA) where: Base-Base interactions energy: -25.508 where: short stacking energy: -25.508 Base-Backbone interact. energy: -0.005 local terms energy: -30.273560 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -52.975835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.975835 (E_RNA) where: Base-Base interactions energy: -22.434 where: short stacking energy: -19.692 Base-Backbone interact. energy: -0.000 local terms energy: -30.541349 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -51.534977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.534977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.534977 (E_RNA) where: Base-Base interactions energy: -19.133 where: short stacking energy: -19.133 Base-Backbone interact. energy: -0.007 local terms energy: -32.394731 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -7.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -44.273377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.273377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.273377 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -17.471 Base-Backbone interact. energy: -0.008 local terms energy: -26.048512 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: 0.787 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: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -38.238172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.238172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.238172 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.203 local terms energy: -25.626931 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -40.938090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.938090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.938090 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.038 local terms energy: -27.015500 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.706 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: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -82.505198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.505198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.505198 (E_RNA) where: Base-Base interactions energy: -50.373 where: short stacking energy: -31.794 Base-Backbone interact. energy: 1.149 local terms energy: -33.281948 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -5.402 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -6.865 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: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -56.995172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.995172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.995172 (E_RNA) where: Base-Base interactions energy: -23.048 where: short stacking energy: -23.048 Base-Backbone interact. energy: -0.000 local terms energy: -33.947344 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -5.316 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -55.212724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.212724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.212724 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.001 local terms energy: -33.404444 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -56.706161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.706161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.706161 (E_RNA) where: Base-Base interactions energy: -20.459 where: short stacking energy: -20.459 Base-Backbone interact. energy: -0.012 local terms energy: -36.235476 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -5.346 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: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -64.194982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.194982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.194982 (E_RNA) where: Base-Base interactions energy: -26.016 where: short stacking energy: -26.016 Base-Backbone interact. energy: -0.088 local terms energy: -38.091746 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -44.539318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.539318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.539318 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -16.245 Base-Backbone interact. energy: 0.922 local terms energy: -29.215525 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -5.593 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: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -44.732987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.732987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.732987 (E_RNA) where: Base-Base interactions energy: -22.021 where: short stacking energy: -22.021 Base-Backbone interact. energy: -0.003 local terms energy: -22.708606 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -0.752 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -46.695140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.695140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.695140 (E_RNA) where: Base-Base interactions energy: -18.544 where: short stacking energy: -18.544 Base-Backbone interact. energy: -0.017 local terms energy: -28.133419 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -6.736 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: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -48.111392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.111392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.111392 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.003 local terms energy: -31.628195 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.533 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: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -37.740911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.740911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.740911 (E_RNA) where: Base-Base interactions energy: -11.866 where: short stacking energy: -11.866 Base-Backbone interact. energy: -0.110 local terms energy: -25.764852 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -54.930841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.930841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.930841 (E_RNA) where: Base-Base interactions energy: -21.966 where: short stacking energy: -21.966 Base-Backbone interact. energy: -0.460 local terms energy: -32.505351 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -4.409 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: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -71.356939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.356939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.356939 (E_RNA) where: Base-Base interactions energy: -38.314 where: short stacking energy: -23.862 Base-Backbone interact. energy: -0.001 local terms energy: -33.042166 where: bonds (distance) C4'-P energy: -7.008 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -54.958110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.958110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.958110 (E_RNA) where: Base-Base interactions energy: -24.036 where: short stacking energy: -24.036 Base-Backbone interact. energy: -0.083 local terms energy: -30.838708 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -61.774102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.774102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.774102 (E_RNA) where: Base-Base interactions energy: -27.006 where: short stacking energy: -26.305 Base-Backbone interact. energy: -0.000 local terms energy: -34.767605 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -63.330195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.330195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.330195 (E_RNA) where: Base-Base interactions energy: -32.754 where: short stacking energy: -19.788 Base-Backbone interact. energy: -0.098 local terms energy: -30.478497 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -3.614 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: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -52.745875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.745875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.745875 (E_RNA) where: Base-Base interactions energy: -24.684 where: short stacking energy: -15.884 Base-Backbone interact. energy: -0.001 local terms energy: -28.060886 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.572 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: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -43.322190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.322190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.322190 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.044 local terms energy: -28.746435 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -63.052301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.052301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.052301 (E_RNA) where: Base-Base interactions energy: -27.823 where: short stacking energy: -21.872 Base-Backbone interact. energy: -0.001 local terms energy: -35.228516 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -4.619 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: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -51.949714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.949714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.949714 (E_RNA) where: Base-Base interactions energy: -24.121 where: short stacking energy: -24.121 Base-Backbone interact. energy: -0.016 local terms energy: -27.813366 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -4.701 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -44.720549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.720549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.720549 (E_RNA) where: Base-Base interactions energy: -18.565 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.014 local terms energy: -26.141785 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -5.492 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.378 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: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -62.623040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.623040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.623040 (E_RNA) where: Base-Base interactions energy: -29.552 where: short stacking energy: -16.796 Base-Backbone interact. energy: -0.008 local terms energy: -33.062775 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -74.959227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.959227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.959227 (E_RNA) where: Base-Base interactions energy: -31.376 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.000 local terms energy: -43.582782 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -11.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -75.339958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.339958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.339958 (E_RNA) where: Base-Base interactions energy: -44.365 where: short stacking energy: -29.027 Base-Backbone interact. energy: 0.560 local terms energy: -31.534473 where: bonds (distance) C4'-P energy: -4.890 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -59.831653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.831653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.831653 (E_RNA) where: Base-Base interactions energy: -27.376 where: short stacking energy: -25.667 Base-Backbone interact. energy: -0.242 local terms energy: -32.213304 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -7.254 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: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -53.243146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.243146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.243146 (E_RNA) where: Base-Base interactions energy: -24.861 where: short stacking energy: -24.861 Base-Backbone interact. energy: -0.001 local terms energy: -28.380454 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -47.326297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.326297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.326297 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -17.196 Base-Backbone interact. energy: -0.094 local terms energy: -30.036133 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -57.644329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.644329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.644329 (E_RNA) where: Base-Base interactions energy: -22.731 where: short stacking energy: -17.886 Base-Backbone interact. energy: -0.421 local terms energy: -34.492160 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -6.046 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: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -47.313636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.313636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.313636 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.011 local terms energy: -30.650525 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -5.713 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: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -46.067087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.067087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.067087 (E_RNA) where: Base-Base interactions energy: -24.725 where: short stacking energy: -22.933 Base-Backbone interact. energy: 0.320 local terms energy: -21.661455 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -46.296903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.296903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.296903 (E_RNA) where: Base-Base interactions energy: -19.897 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.014 local terms energy: -26.386338 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -3.501 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -2.365 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: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -73.310633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.310633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.310633 (E_RNA) where: Base-Base interactions energy: -37.694 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.026 local terms energy: -35.591122 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -7.860 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: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -59.539320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.539320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.539320 (E_RNA) where: Base-Base interactions energy: -27.387 where: short stacking energy: -20.297 Base-Backbone interact. energy: -0.010 local terms energy: -32.142607 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -69.854707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.854707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.854707 (E_RNA) where: Base-Base interactions energy: -36.002 where: short stacking energy: -27.433 Base-Backbone interact. energy: 1.253 local terms energy: -35.104974 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -66.019438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.019438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.019438 (E_RNA) where: Base-Base interactions energy: -31.632 where: short stacking energy: -31.632 Base-Backbone interact. energy: -0.000 local terms energy: -34.387008 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -57.877274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.877274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.877274 (E_RNA) where: Base-Base interactions energy: -32.036 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.114 local terms energy: -25.728045 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -53.826562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.826562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.826562 (E_RNA) where: Base-Base interactions energy: -24.501 where: short stacking energy: -24.501 Base-Backbone interact. energy: -0.100 local terms energy: -29.225892 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.926 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -45.898908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.898908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.898908 (E_RNA) where: Base-Base interactions energy: -23.788 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.148 local terms energy: -21.963062 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.941 flat angles P-C4'-P energy: -6.023 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: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -47.897347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.897347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.897347 (E_RNA) where: Base-Base interactions energy: -17.665 where: short stacking energy: -17.665 Base-Backbone interact. energy: -0.000 local terms energy: -30.231746 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -6.779 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: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -44.309833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.309833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.309833 (E_RNA) where: Base-Base interactions energy: -13.216 where: short stacking energy: -13.216 Base-Backbone interact. energy: -0.018 local terms energy: -31.076033 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -6.112 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: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -39.125812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.125812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.125812 (E_RNA) where: Base-Base interactions energy: -11.128 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.065 local terms energy: -27.932612 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -4.603 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: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -74.005797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.005797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.005797 (E_RNA) where: Base-Base interactions energy: -39.310 where: short stacking energy: -23.609 Base-Backbone interact. energy: -0.000 local terms energy: -34.695911 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -57.904672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.904672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.904672 (E_RNA) where: Base-Base interactions energy: -26.856 where: short stacking energy: -26.856 Base-Backbone interact. energy: -0.001 local terms energy: -31.048082 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -5.669 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: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -65.192410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.192410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.192410 (E_RNA) where: Base-Base interactions energy: -27.146 where: short stacking energy: -27.146 Base-Backbone interact. energy: -0.005 local terms energy: -38.041651 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -60.677036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.677036 (E_RNA) where: Base-Base interactions energy: -26.266 where: short stacking energy: -26.266 Base-Backbone interact. energy: -0.000 local terms energy: -34.410734 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -52.930787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.930787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.930787 (E_RNA) where: Base-Base interactions energy: -20.211 where: short stacking energy: -20.211 Base-Backbone interact. energy: -0.000 local terms energy: -32.719447 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -3.330 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: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -41.783612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.783612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.783612 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.092 local terms energy: -30.444887 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: 1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -50.899181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.899181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.899181 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.047 local terms energy: -30.994137 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -47.209351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.209351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.209351 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.011 local terms energy: -29.963031 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -43.156638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156638 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.004 local terms energy: -29.096263 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -39.956887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.956887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.956887 (E_RNA) where: Base-Base interactions energy: -14.807 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.022 local terms energy: -25.127399 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -61.518093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.518093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.518093 (E_RNA) where: Base-Base interactions energy: -26.836 where: short stacking energy: -26.836 Base-Backbone interact. energy: -0.080 local terms energy: -34.601677 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -62.179984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.179984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.179984 (E_RNA) where: Base-Base interactions energy: -32.820 where: short stacking energy: -23.511 Base-Backbone interact. energy: -0.078 local terms energy: -29.281826 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -50.850734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.850734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.850734 (E_RNA) where: Base-Base interactions energy: -22.755 where: short stacking energy: -13.629 Base-Backbone interact. energy: -0.087 local terms energy: -28.009701 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.309 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -6.439 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: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -56.477777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.477777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.477777 (E_RNA) where: Base-Base interactions energy: -27.128 where: short stacking energy: -17.158 Base-Backbone interact. energy: -0.048 local terms energy: -29.302496 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -50.427247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.427247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.427247 (E_RNA) where: Base-Base interactions energy: -21.383 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.038 local terms energy: -29.005600 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -39.485635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485635 (E_RNA) where: Base-Base interactions energy: -12.822 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.121 local terms energy: -26.542707 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -47.620571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.620571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.620571 (E_RNA) where: Base-Base interactions energy: -17.347 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.015 local terms energy: -30.258010 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -46.948234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.948234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.948234 (E_RNA) where: Base-Base interactions energy: -17.610 where: short stacking energy: -17.610 Base-Backbone interact. energy: -0.088 local terms energy: -29.249584 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -5.835 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: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -45.237214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.237214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.237214 (E_RNA) where: Base-Base interactions energy: -23.601 where: short stacking energy: -23.601 Base-Backbone interact. energy: -0.002 local terms energy: -21.634554 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -1.714 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -47.232737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.232737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.232737 (E_RNA) where: Base-Base interactions energy: -19.427 where: short stacking energy: -14.941 Base-Backbone interact. energy: -0.002 local terms energy: -27.803656 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -63.674480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.674480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.674480 (E_RNA) where: Base-Base interactions energy: -24.874 where: short stacking energy: -24.874 Base-Backbone interact. energy: -0.010 local terms energy: -38.790760 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -55.009067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.009067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.009067 (E_RNA) where: Base-Base interactions energy: -24.087 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.722 local terms energy: -30.200260 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.670 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: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -54.267947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.267947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.267947 (E_RNA) where: Base-Base interactions energy: -21.600 where: short stacking energy: -20.565 Base-Backbone interact. energy: -0.003 local terms energy: -32.665501 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -60.163716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.163716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.163716 (E_RNA) where: Base-Base interactions energy: -27.184 where: short stacking energy: -25.399 Base-Backbone interact. energy: -0.001 local terms energy: -32.978987 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -63.922107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.922107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.922107 (E_RNA) where: Base-Base interactions energy: -28.824 where: short stacking energy: -28.607 Base-Backbone interact. energy: -0.000 local terms energy: -35.098348 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -53.286245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.286245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.286245 (E_RNA) where: Base-Base interactions energy: -18.693 where: short stacking energy: -18.693 Base-Backbone interact. energy: -0.037 local terms energy: -34.556482 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.213 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: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -51.405793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.405793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.405793 (E_RNA) where: Base-Base interactions energy: -24.147 where: short stacking energy: -21.039 Base-Backbone interact. energy: -0.000 local terms energy: -27.258621 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -3.304 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: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -52.323133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.323133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.323133 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -13.633 Base-Backbone interact. energy: 0.121 local terms energy: -27.829738 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -42.710595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710595 (E_RNA) where: Base-Base interactions energy: -15.116 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.003 local terms energy: -27.591517 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -37.425141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.425141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.425141 (E_RNA) where: Base-Base interactions energy: -14.753 where: short stacking energy: -14.753 Base-Backbone interact. energy: 2.136 local terms energy: -24.808059 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.154 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: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -65.994294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.994294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.994294 (E_RNA) where: Base-Base interactions energy: -27.716 where: short stacking energy: -27.716 Base-Backbone interact. energy: -0.000 local terms energy: -38.278007 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -9.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -66.682355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.682355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.682355 (E_RNA) where: Base-Base interactions energy: -27.401 where: short stacking energy: -27.401 Base-Backbone interact. energy: -0.012 local terms energy: -39.269748 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -9.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -68.139973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.139973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.139973 (E_RNA) where: Base-Base interactions energy: -37.962 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.368 local terms energy: -29.809352 where: bonds (distance) C4'-P energy: -3.170 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -60.886570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.886570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.886570 (E_RNA) where: Base-Base interactions energy: -27.937 where: short stacking energy: -18.723 Base-Backbone interact. energy: -0.483 local terms energy: -32.466911 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -3.381 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: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -53.980592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.980592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.980592 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.014 local terms energy: -29.166612 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -49.733576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.733576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.733576 (E_RNA) where: Base-Base interactions energy: -18.140 where: short stacking energy: -18.026 Base-Backbone interact. energy: -0.090 local terms energy: -31.503768 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -42.217262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.217262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.217262 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -8.761 Base-Backbone interact. energy: -0.254 local terms energy: -29.434991 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -45.014762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014762 (E_RNA) where: Base-Base interactions energy: -17.794 where: short stacking energy: -17.794 Base-Backbone interact. energy: -0.033 local terms energy: -27.188206 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -43.783555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.783555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.783555 (E_RNA) where: Base-Base interactions energy: -15.672 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.037 local terms energy: -28.074459 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -4.749 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: 5 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -42.577433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.577433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.577433 (E_RNA) where: Base-Base interactions energy: -13.879 where: short stacking energy: -13.879 Base-Backbone interact. energy: -0.017 local terms energy: -28.681749 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -2.853 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: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -73.611284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.611284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.611284 (E_RNA) where: Base-Base interactions energy: -33.454 where: short stacking energy: -33.454 Base-Backbone interact. energy: -0.000 local terms energy: -40.157622 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -10.786 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: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -56.297080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.297080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.297080 (E_RNA) where: Base-Base interactions energy: -24.047 where: short stacking energy: -14.018 Base-Backbone interact. energy: -0.009 local terms energy: -32.241818 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -54.347220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.347220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.347220 (E_RNA) where: Base-Base interactions energy: -19.594 where: short stacking energy: -19.594 Base-Backbone interact. energy: -0.055 local terms energy: -34.697788 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -5.932 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: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -62.329073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.329073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.329073 (E_RNA) where: Base-Base interactions energy: -29.805 where: short stacking energy: -24.845 Base-Backbone interact. energy: -0.001 local terms energy: -32.523392 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -56.571823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.571823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.571823 (E_RNA) where: Base-Base interactions energy: -21.384 where: short stacking energy: -21.384 Base-Backbone interact. energy: -0.000 local terms energy: -35.187432 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -7.262 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: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -49.278223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.278223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.278223 (E_RNA) where: Base-Base interactions energy: -18.742 where: short stacking energy: -16.433 Base-Backbone interact. energy: -0.025 local terms energy: -30.511390 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -6.404 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: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -53.431097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.431097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.431097 (E_RNA) where: Base-Base interactions energy: -22.721 where: short stacking energy: -22.721 Base-Backbone interact. energy: -0.003 local terms energy: -30.707345 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -3.748 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: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -42.449660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.449660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.449660 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.023 local terms energy: -26.986036 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -53.292214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.292214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.292214 (E_RNA) where: Base-Base interactions energy: -25.336 where: short stacking energy: -15.531 Base-Backbone interact. energy: -0.005 local terms energy: -27.950914 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.175 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: 10, replica: 5 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -38.871629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.871629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.871629 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.077 local terms energy: -24.808717 where: bonds (distance) C4'-P energy: -3.184 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -5.112 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: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -71.511660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.511660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.511660 (E_RNA) where: Base-Base interactions energy: -35.621 where: short stacking energy: -21.439 Base-Backbone interact. energy: 0.070 local terms energy: -35.960664 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -73.311240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.311240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.311240 (E_RNA) where: Base-Base interactions energy: -40.237 where: short stacking energy: -24.078 Base-Backbone interact. energy: -0.000 local terms energy: -33.074120 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -69.800001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.800001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.800001 (E_RNA) where: Base-Base interactions energy: -32.200 where: short stacking energy: -23.643 Base-Backbone interact. energy: -0.117 local terms energy: -37.482706 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -50.410642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.410642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.410642 (E_RNA) where: Base-Base interactions energy: -18.593 where: short stacking energy: -18.385 Base-Backbone interact. energy: -0.428 local terms energy: -31.390515 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -52.819091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.819091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.819091 (E_RNA) where: Base-Base interactions energy: -21.546 where: short stacking energy: -21.546 Base-Backbone interact. energy: -0.007 local terms energy: -31.266819 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -6.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -53.378080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.378080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.378080 (E_RNA) where: Base-Base interactions energy: -25.650 where: short stacking energy: -18.980 Base-Backbone interact. energy: 0.094 local terms energy: -27.821445 where: bonds (distance) C4'-P energy: -6.601 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -0.889 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -51.273568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.273568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.273568 (E_RNA) where: Base-Base interactions energy: -19.824 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.046 local terms energy: -31.403611 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.973 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -47.680310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.680310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.680310 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.066 local terms energy: -30.929277 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -58.263173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.263173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.263173 (E_RNA) where: Base-Base interactions energy: -33.075 where: short stacking energy: -22.063 Base-Backbone interact. energy: -0.019 local terms energy: -25.169508 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -43.113370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.113370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.113370 (E_RNA) where: Base-Base interactions energy: -16.097 where: short stacking energy: -16.097 Base-Backbone interact. energy: -0.166 local terms energy: -26.850605 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -2.276 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: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -71.546994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.546994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.546994 (E_RNA) where: Base-Base interactions energy: -37.649 where: short stacking energy: -24.790 Base-Backbone interact. energy: -0.018 local terms energy: -33.879680 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -77.299515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.299515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.299515 (E_RNA) where: Base-Base interactions energy: -39.225 where: short stacking energy: -31.694 Base-Backbone interact. energy: -0.010 local terms energy: -38.065244 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -8.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -62.726443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.726443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.726443 (E_RNA) where: Base-Base interactions energy: -28.709 where: short stacking energy: -21.854 Base-Backbone interact. energy: -0.103 local terms energy: -33.914623 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -6.636 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: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -53.189162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.189162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.189162 (E_RNA) where: Base-Base interactions energy: -26.295 where: short stacking energy: -26.295 Base-Backbone interact. energy: -0.020 local terms energy: -26.873957 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -56.012271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.012271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.012271 (E_RNA) where: Base-Base interactions energy: -22.706 where: short stacking energy: -22.706 Base-Backbone interact. energy: -0.018 local terms energy: -33.288498 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -43.095026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.095026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.095026 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.001 local terms energy: -31.168304 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.542 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -56.148133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.148133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.148133 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -16.259 Base-Backbone interact. energy: -0.016 local terms energy: -32.507374 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -46.165446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.165446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.165446 (E_RNA) where: Base-Base interactions energy: -17.797 where: short stacking energy: -17.797 Base-Backbone interact. energy: -0.012 local terms energy: -28.356576 where: bonds (distance) C4'-P energy: -5.324 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -3.668 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: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -45.763378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.763378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.763378 (E_RNA) where: Base-Base interactions energy: -19.166 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.004 local terms energy: -26.592563 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -44.241904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.241904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.241904 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.003 local terms energy: -31.690261 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -4.010 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: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -73.036188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.036188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.036188 (E_RNA) where: Base-Base interactions energy: -34.721 where: short stacking energy: -28.896 Base-Backbone interact. energy: -0.002 local terms energy: -38.313735 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -7.101 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: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -61.404372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.404372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.404372 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -24.930 Base-Backbone interact. energy: -0.000 local terms energy: -35.901240 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -70.592475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.592475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.592475 (E_RNA) where: Base-Base interactions energy: -37.000 where: short stacking energy: -20.665 Base-Backbone interact. energy: -0.011 local terms energy: -33.581314 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -53.947666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.947666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.947666 (E_RNA) where: Base-Base interactions energy: -22.130 where: short stacking energy: -22.130 Base-Backbone interact. energy: -0.185 local terms energy: -31.632608 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.513 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: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -56.012862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.012862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.012862 (E_RNA) where: Base-Base interactions energy: -24.989 where: short stacking energy: -24.989 Base-Backbone interact. energy: -0.000 local terms energy: -31.023526 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -63.745862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.745862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.745862 (E_RNA) where: Base-Base interactions energy: -33.826 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.001 local terms energy: -29.918883 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -57.833289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.833289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.833289 (E_RNA) where: Base-Base interactions energy: -33.542 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.230 local terms energy: -24.061769 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -44.093097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.093097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.093097 (E_RNA) where: Base-Base interactions energy: -17.692 where: short stacking energy: -17.692 Base-Backbone interact. energy: -0.004 local terms energy: -26.397733 where: bonds (distance) C4'-P energy: -2.450 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -49.404087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.404087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.404087 (E_RNA) where: Base-Base interactions energy: -18.569 where: short stacking energy: -16.859 Base-Backbone interact. energy: -0.005 local terms energy: -30.830573 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -5.854 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: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -44.983651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.983651 (E_RNA) where: Base-Base interactions energy: -19.263 where: short stacking energy: -15.556 Base-Backbone interact. energy: -0.255 local terms energy: -25.465374 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.090 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -2.998 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: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -60.472279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.472279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.472279 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -26.084 Base-Backbone interact. energy: -0.002 local terms energy: -34.386716 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -60.190527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.190527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.190527 (E_RNA) where: Base-Base interactions energy: -30.969 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.203 local terms energy: -29.019190 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -5.614 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: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -57.789846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.789846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.789846 (E_RNA) where: Base-Base interactions energy: -25.877 where: short stacking energy: -25.877 Base-Backbone interact. energy: -0.074 local terms energy: -31.838414 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -4.043 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: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -53.388150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.388150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.388150 (E_RNA) where: Base-Base interactions energy: -19.401 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.197 local terms energy: -33.789862 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -68.355717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.355717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.355717 (E_RNA) where: Base-Base interactions energy: -34.682 where: short stacking energy: -15.660 Base-Backbone interact. energy: -0.058 local terms energy: -33.615800 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -50.547080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.547080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.547080 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.013 local terms energy: -33.759089 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -47.258045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.258045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.258045 (E_RNA) where: Base-Base interactions energy: -21.028 where: short stacking energy: -12.907 Base-Backbone interact. energy: -0.092 local terms energy: -26.137476 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -7.389 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: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -48.755541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.755541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.755541 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -19.152 Base-Backbone interact. energy: -0.000 local terms energy: -29.402951 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.131 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: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -44.628634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.628634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.628634 (E_RNA) where: Base-Base interactions energy: -19.696 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.063 local terms energy: -24.869379 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: 1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -38.902701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.902701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.902701 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.258 local terms energy: -26.107398 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -68.716409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.716409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.716409 (E_RNA) where: Base-Base interactions energy: -33.941 where: short stacking energy: -25.496 Base-Backbone interact. energy: -0.002 local terms energy: -34.773943 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -6.444 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: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -61.122206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.122206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.122206 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -20.751 Base-Backbone interact. energy: -0.039 local terms energy: -40.331989 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -53.987867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.987867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.987867 (E_RNA) where: Base-Base interactions energy: -19.515 where: short stacking energy: -19.515 Base-Backbone interact. energy: -0.008 local terms energy: -34.464042 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -5.002 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: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -54.570693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.570693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.570693 (E_RNA) where: Base-Base interactions energy: -20.090 where: short stacking energy: -20.090 Base-Backbone interact. energy: -0.000 local terms energy: -34.480884 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.540 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: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -52.519164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.519164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.519164 (E_RNA) where: Base-Base interactions energy: -21.511 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.008 local terms energy: -31.000468 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -69.814236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.814236 (E_RNA) where: Base-Base interactions energy: -37.190 where: short stacking energy: -16.532 Base-Backbone interact. energy: -0.108 local terms energy: -32.516619 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -6.828 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: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -53.446693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.446693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.446693 (E_RNA) where: Base-Base interactions energy: -25.212 where: short stacking energy: -20.202 Base-Backbone interact. energy: -0.023 local terms energy: -28.212219 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -3.274 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: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -44.943694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.943694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.943694 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -10.810 Base-Backbone interact. energy: -0.001 local terms energy: -34.132412 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -43.742951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.742951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.742951 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: 0.277 local terms energy: -27.951309 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -5.375 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -40.703290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.703290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.703290 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.002 local terms energy: -26.101368 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -71.907900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.907900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.907900 (E_RNA) where: Base-Base interactions energy: -32.987 where: short stacking energy: -29.986 Base-Backbone interact. energy: -0.000 local terms energy: -38.920982 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -11.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -63.519965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.519965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.519965 (E_RNA) where: Base-Base interactions energy: -32.587 where: short stacking energy: -32.587 Base-Backbone interact. energy: -0.000 local terms energy: -30.933258 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -55.340671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.340671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.340671 (E_RNA) where: Base-Base interactions energy: -25.753 where: short stacking energy: -25.753 Base-Backbone interact. energy: -0.000 local terms energy: -29.586893 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -5.108 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: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -53.743852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.743852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.743852 (E_RNA) where: Base-Base interactions energy: -25.757 where: short stacking energy: -18.094 Base-Backbone interact. energy: -0.129 local terms energy: -27.857807 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -4.672 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: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -52.259125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.259125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.259125 (E_RNA) where: Base-Base interactions energy: -24.310 where: short stacking energy: -16.249 Base-Backbone interact. energy: -0.072 local terms energy: -27.876951 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -0.964 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: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -49.131983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.131983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.131983 (E_RNA) where: Base-Base interactions energy: -19.027 where: short stacking energy: -18.978 Base-Backbone interact. energy: -0.006 local terms energy: -30.099083 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -6.911 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: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -40.870530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.870530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.870530 (E_RNA) where: Base-Base interactions energy: -16.305 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.113 local terms energy: -24.452398 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: 0.041 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: 373 Temperature: 1.250000 Total energy: -47.707372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.707372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.707372 (E_RNA) where: Base-Base interactions energy: -18.127 where: short stacking energy: -18.227 Base-Backbone interact. energy: -0.053 local terms energy: -29.527331 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -48.145170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.145170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.145170 (E_RNA) where: Base-Base interactions energy: -19.861 where: short stacking energy: -19.861 Base-Backbone interact. energy: -0.037 local terms energy: -28.246719 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -1.808 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: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -45.426581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.426581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.426581 (E_RNA) where: Base-Base interactions energy: -20.374 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.002 local terms energy: -25.051312 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -72.557212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.557212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.557212 (E_RNA) where: Base-Base interactions energy: -32.781 where: short stacking energy: -32.781 Base-Backbone interact. energy: -0.000 local terms energy: -39.776211 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -58.738106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.738106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.738106 (E_RNA) where: Base-Base interactions energy: -24.507 where: short stacking energy: -24.002 Base-Backbone interact. energy: -0.004 local terms energy: -34.227155 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -4.135 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: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -58.434722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.434722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.434722 (E_RNA) where: Base-Base interactions energy: -27.694 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.088 local terms energy: -30.652732 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.281 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: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -55.088026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.088026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.088026 (E_RNA) where: Base-Base interactions energy: -22.330 where: short stacking energy: -17.507 Base-Backbone interact. energy: -0.060 local terms energy: -32.698248 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -5.380 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: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -50.675085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.675085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.675085 (E_RNA) where: Base-Base interactions energy: -21.605 where: short stacking energy: -21.605 Base-Backbone interact. energy: -0.000 local terms energy: -29.069660 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.559 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: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -47.474251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.474251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.474251 (E_RNA) where: Base-Base interactions energy: -15.824 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.000 local terms energy: -31.650186 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -52.683018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.683018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.683018 (E_RNA) where: Base-Base interactions energy: -23.945 where: short stacking energy: -23.945 Base-Backbone interact. energy: -0.009 local terms energy: -28.729692 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.309 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: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -45.812344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.812344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.812344 (E_RNA) where: Base-Base interactions energy: -20.255 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.049 local terms energy: -25.508883 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -3.840 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -6.459 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: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -46.846426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.846426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.846426 (E_RNA) where: Base-Base interactions energy: -17.936 where: short stacking energy: -17.936 Base-Backbone interact. energy: -0.000 local terms energy: -28.909706 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -36.510734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510734 (E_RNA) where: Base-Base interactions energy: -6.546 where: short stacking energy: -6.546 Base-Backbone interact. energy: -0.044 local terms energy: -29.920371 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -6.526 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: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -70.515127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.515127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.515127 (E_RNA) where: Base-Base interactions energy: -30.003 where: short stacking energy: -30.003 Base-Backbone interact. energy: -0.000 local terms energy: -40.512112 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -8.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -60.322155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.322155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.322155 (E_RNA) where: Base-Base interactions energy: -30.546 where: short stacking energy: -30.546 Base-Backbone interact. energy: -0.000 local terms energy: -29.775585 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -4.352 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: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -55.795726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.795726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.795726 (E_RNA) where: Base-Base interactions energy: -22.330 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.044 local terms energy: -33.421408 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -59.846591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.846591 (E_RNA) where: Base-Base interactions energy: -25.066 where: short stacking energy: -25.066 Base-Backbone interact. energy: -0.001 local terms energy: -34.779513 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -49.610289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.610289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.610289 (E_RNA) where: Base-Base interactions energy: -22.463 where: short stacking energy: -15.521 Base-Backbone interact. energy: -0.004 local terms energy: -27.142984 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -50.822407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.822407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.822407 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.062 local terms energy: -30.515614 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -52.900392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.900392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.900392 (E_RNA) where: Base-Base interactions energy: -21.526 where: short stacking energy: -21.670 Base-Backbone interact. energy: -0.271 local terms energy: -31.103565 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -4.621 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: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -45.727525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.727525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.727525 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -19.574 Base-Backbone interact. energy: -0.142 local terms energy: -26.011440 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -2.120 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -44.062677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.062677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.062677 (E_RNA) where: Base-Base interactions energy: -9.860 where: short stacking energy: -9.860 Base-Backbone interact. energy: -0.005 local terms energy: -34.197577 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -7.492 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: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -35.708711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.708711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.708711 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.140 local terms energy: -24.358963 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -4.810 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: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -70.420513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.420513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.420513 (E_RNA) where: Base-Base interactions energy: -31.479 where: short stacking energy: -28.026 Base-Backbone interact. energy: -0.000 local terms energy: -38.941445 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -9.285 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: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -72.523408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.523408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.523408 (E_RNA) where: Base-Base interactions energy: -38.732 where: short stacking energy: -26.273 Base-Backbone interact. energy: -0.002 local terms energy: -33.789309 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -6.050 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -56.411500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.411500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.411500 (E_RNA) where: Base-Base interactions energy: -28.121 where: short stacking energy: -21.387 Base-Backbone interact. energy: -0.020 local terms energy: -28.270899 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -3.553 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: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -62.888868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.888868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.888868 (E_RNA) where: Base-Base interactions energy: -28.775 where: short stacking energy: -28.775 Base-Backbone interact. energy: -0.004 local terms energy: -34.110145 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -47.595342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.595342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.595342 (E_RNA) where: Base-Base interactions energy: -15.360 where: short stacking energy: -15.360 Base-Backbone interact. energy: -0.017 local terms energy: -32.218320 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -54.997912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.997912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.997912 (E_RNA) where: Base-Base interactions energy: -21.157 where: short stacking energy: -19.397 Base-Backbone interact. energy: -0.665 local terms energy: -33.175252 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -4.843 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: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -48.291826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.291826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.291826 (E_RNA) where: Base-Base interactions energy: -16.073 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.324 local terms energy: -31.894140 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.726 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: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -53.646710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.646710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.646710 (E_RNA) where: Base-Base interactions energy: -16.910 where: short stacking energy: -16.910 Base-Backbone interact. energy: -0.003 local terms energy: -36.733964 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -51.907435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.907435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.907435 (E_RNA) where: Base-Base interactions energy: -17.691 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.003 local terms energy: -34.212876 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -41.698869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.698869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.698869 (E_RNA) where: Base-Base interactions energy: -16.358 where: short stacking energy: -16.358 Base-Backbone interact. energy: -0.064 local terms energy: -25.276529 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.631 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: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -70.992861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.992861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.992861 (E_RNA) where: Base-Base interactions energy: -31.878 where: short stacking energy: -27.813 Base-Backbone interact. energy: -0.000 local terms energy: -39.115303 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -9.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -64.696756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.696756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.696756 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -19.809 Base-Backbone interact. energy: -0.000 local terms energy: -35.580229 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -61.101073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.101073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.101073 (E_RNA) where: Base-Base interactions energy: -26.136 where: short stacking energy: -26.136 Base-Backbone interact. energy: -0.000 local terms energy: -34.965438 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -8.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -58.641834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.641834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.641834 (E_RNA) where: Base-Base interactions energy: -24.258 where: short stacking energy: -23.718 Base-Backbone interact. energy: -0.000 local terms energy: -34.383802 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -6.279 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: 377 Temperature: 1.100000 Total energy: -54.727952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.727952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.727952 (E_RNA) where: Base-Base interactions energy: -21.287 where: short stacking energy: -21.287 Base-Backbone interact. energy: -0.000 local terms energy: -33.440777 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -4.752 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: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -46.617438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.617438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.617438 (E_RNA) where: Base-Base interactions energy: -24.025 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.083 local terms energy: -22.510113 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -5.591 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -3.210 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: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -44.261707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.261707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.261707 (E_RNA) where: Base-Base interactions energy: -16.054 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.351 local terms energy: -27.857098 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.412 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: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -39.584683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.584683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.584683 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.213 local terms energy: -24.929848 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -44.759043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.759043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.759043 (E_RNA) where: Base-Base interactions energy: -20.780 where: short stacking energy: -20.780 Base-Backbone interact. energy: -0.006 local terms energy: -23.972735 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -58.883430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.883430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.883430 (E_RNA) where: Base-Base interactions energy: -30.957 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.029 local terms energy: -27.896691 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -63.993652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.993652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.993652 (E_RNA) where: Base-Base interactions energy: -25.653 where: short stacking energy: -24.315 Base-Backbone interact. energy: -0.661 local terms energy: -37.679494 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -62.131965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.131965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.131965 (E_RNA) where: Base-Base interactions energy: -26.684 where: short stacking energy: -26.551 Base-Backbone interact. energy: -0.002 local terms energy: -35.445292 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -57.933098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.933098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.933098 (E_RNA) where: Base-Base interactions energy: -28.904 where: short stacking energy: -28.028 Base-Backbone interact. energy: -0.059 local terms energy: -28.970130 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.112 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: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -52.090198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.090198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.090198 (E_RNA) where: Base-Base interactions energy: -18.829 where: short stacking energy: -15.580 Base-Backbone interact. energy: -0.200 local terms energy: -33.061312 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -56.144027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.144027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.144027 (E_RNA) where: Base-Base interactions energy: -24.090 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.019 local terms energy: -32.035443 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -50.795329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.795329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.795329 (E_RNA) where: Base-Base interactions energy: -20.315 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.026 local terms energy: -30.454095 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -42.749390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.749390 (E_RNA) where: Base-Base interactions energy: -16.361 where: short stacking energy: -16.361 Base-Backbone interact. energy: -0.134 local terms energy: -26.254804 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.502 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: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -51.443834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.443834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.443834 (E_RNA) where: Base-Base interactions energy: -24.568 where: short stacking energy: -16.148 Base-Backbone interact. energy: -0.001 local terms energy: -26.874954 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -44.879478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.879478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.879478 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -15.128 Base-Backbone interact. energy: -0.102 local terms energy: -29.112303 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -49.599179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.599179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.599179 (E_RNA) where: Base-Base interactions energy: -21.005 where: short stacking energy: -14.318 Base-Backbone interact. energy: -0.003 local terms energy: -28.590903 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -72.885298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.885298 (E_RNA) where: Base-Base interactions energy: -32.197 where: short stacking energy: -28.002 Base-Backbone interact. energy: -2.173 local terms energy: -38.515070 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -8.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -72.709215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.709215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.709215 (E_RNA) where: Base-Base interactions energy: -40.075 where: short stacking energy: -22.925 Base-Backbone interact. energy: -0.013 local terms energy: -32.621128 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -4.041 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: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -68.830392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.830392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.830392 (E_RNA) where: Base-Base interactions energy: -30.396 where: short stacking energy: -30.396 Base-Backbone interact. energy: -0.000 local terms energy: -38.434847 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -7.972 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -54.167143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.167143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.167143 (E_RNA) where: Base-Base interactions energy: -22.199 where: short stacking energy: -21.241 Base-Backbone interact. energy: -0.074 local terms energy: -31.893958 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -53.376376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.376376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.376376 (E_RNA) where: Base-Base interactions energy: -20.510 where: short stacking energy: -20.510 Base-Backbone interact. energy: -0.004 local terms energy: -32.862361 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -8.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -54.576943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.576943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.576943 (E_RNA) where: Base-Base interactions energy: -21.425 where: short stacking energy: -18.630 Base-Backbone interact. energy: -0.002 local terms energy: -33.149748 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.629 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -45.014527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014527 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -15.875 Base-Backbone interact. energy: -0.000 local terms energy: -29.139365 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -3.050 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: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -47.444332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.444332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.444332 (E_RNA) where: Base-Base interactions energy: -15.610 where: short stacking energy: -15.610 Base-Backbone interact. energy: -0.001 local terms energy: -31.832452 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -6.552 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: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -39.903997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.903997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.903997 (E_RNA) where: Base-Base interactions energy: -10.214 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.007 local terms energy: -29.682951 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -4.884 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: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -45.362055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.362055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.362055 (E_RNA) where: Base-Base interactions energy: -17.360 where: short stacking energy: -17.360 Base-Backbone interact. energy: -0.081 local terms energy: -27.921102 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -73.696397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.696397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.696397 (E_RNA) where: Base-Base interactions energy: -41.163 where: short stacking energy: -20.332 Base-Backbone interact. energy: -0.102 local terms energy: -32.431760 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.932 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: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -57.234024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.234024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.234024 (E_RNA) where: Base-Base interactions energy: -27.298 where: short stacking energy: -18.591 Base-Backbone interact. energy: -0.057 local terms energy: -29.879341 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.242 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: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -54.692489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.692489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.692489 (E_RNA) where: Base-Base interactions energy: -19.047 where: short stacking energy: -19.047 Base-Backbone interact. energy: -0.200 local terms energy: -35.446323 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.940 flat angles P-C4'-P energy: -5.210 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: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -54.678394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.678394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.678394 (E_RNA) where: Base-Base interactions energy: -20.381 where: short stacking energy: -20.381 Base-Backbone interact. energy: -0.000 local terms energy: -34.297355 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -49.609444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.609444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.609444 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: 0.485 local terms energy: -31.004209 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -5.697 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: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -58.894052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.894052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.894052 (E_RNA) where: Base-Base interactions energy: -29.091 where: short stacking energy: -22.735 Base-Backbone interact. energy: 0.597 local terms energy: -30.399830 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -5.264 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: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -50.841906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.841906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.841906 (E_RNA) where: Base-Base interactions energy: -21.734 where: short stacking energy: -20.501 Base-Backbone interact. energy: -0.002 local terms energy: -29.106141 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -46.135753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.135753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.135753 (E_RNA) where: Base-Base interactions energy: -19.030 where: short stacking energy: -19.030 Base-Backbone interact. energy: -0.001 local terms energy: -27.105510 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -3.484 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: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -41.911476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.911476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.911476 (E_RNA) where: Base-Base interactions energy: -15.739 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.044 local terms energy: -26.128254 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -2.298 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: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -39.370781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.370781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.370781 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.066 local terms energy: -29.730823 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: 0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -77.673862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.673862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.673862 (E_RNA) where: Base-Base interactions energy: -39.962 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.105 local terms energy: -37.606693 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -6.832 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: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -62.688440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.688440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.688440 (E_RNA) where: Base-Base interactions energy: -25.219 where: short stacking energy: -25.219 Base-Backbone interact. energy: -0.001 local terms energy: -37.467610 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -7.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -54.679975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.679975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.679975 (E_RNA) where: Base-Base interactions energy: -22.517 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.002 local terms energy: -32.161288 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.131 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: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -50.384514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.384514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.384514 (E_RNA) where: Base-Base interactions energy: -21.548 where: short stacking energy: -21.548 Base-Backbone interact. energy: -0.001 local terms energy: -28.835846 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -51.710008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.710008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.710008 (E_RNA) where: Base-Base interactions energy: -20.857 where: short stacking energy: -20.857 Base-Backbone interact. energy: -0.000 local terms energy: -30.853412 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -6.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -54.463734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.463734 (E_RNA) where: Base-Base interactions energy: -24.158 where: short stacking energy: -23.550 Base-Backbone interact. energy: -0.007 local terms energy: -30.298706 where: bonds (distance) C4'-P energy: -6.375 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -43.082926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.082926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.082926 (E_RNA) where: Base-Base interactions energy: -17.359 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.154 local terms energy: -25.569481 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -48.354799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.354799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.354799 (E_RNA) where: Base-Base interactions energy: -20.452 where: short stacking energy: -17.124 Base-Backbone interact. energy: 1.059 local terms energy: -28.961381 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -45.798797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.798797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.798797 (E_RNA) where: Base-Base interactions energy: -15.955 where: short stacking energy: -15.955 Base-Backbone interact. energy: 1.034 local terms energy: -30.877604 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -6.922 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: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -49.036024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.036024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.036024 (E_RNA) where: Base-Base interactions energy: -20.741 where: short stacking energy: -20.741 Base-Backbone interact. energy: -0.001 local terms energy: -28.293859 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.690 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -69.158368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.158368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.158368 (E_RNA) where: Base-Base interactions energy: -29.671 where: short stacking energy: -26.284 Base-Backbone interact. energy: -2.237 local terms energy: -37.250118 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -7.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -62.383912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.383912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.383912 (E_RNA) where: Base-Base interactions energy: -26.575 where: short stacking energy: -26.575 Base-Backbone interact. energy: -0.001 local terms energy: -35.807466 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -6.138 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: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -57.409996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.409996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.409996 (E_RNA) where: Base-Base interactions energy: -27.710 where: short stacking energy: -27.710 Base-Backbone interact. energy: -0.016 local terms energy: -29.683849 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -61.374124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.374124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.374124 (E_RNA) where: Base-Base interactions energy: -27.286 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.001 local terms energy: -34.087653 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -53.399256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.399256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.399256 (E_RNA) where: Base-Base interactions energy: -18.028 where: short stacking energy: -18.028 Base-Backbone interact. energy: -0.069 local terms energy: -35.302763 where: bonds (distance) C4'-P energy: -7.115 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -49.332783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.332783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.332783 (E_RNA) where: Base-Base interactions energy: -19.294 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.000 local terms energy: -30.038880 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -4.629 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: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -62.151717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.151717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.151717 (E_RNA) where: Base-Base interactions energy: -35.907 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.038 local terms energy: -26.206980 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.589 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: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -50.472521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.472521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.472521 (E_RNA) where: Base-Base interactions energy: -19.064 where: short stacking energy: -19.064 Base-Backbone interact. energy: -0.000 local terms energy: -31.408159 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -42.903651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.903651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.903651 (E_RNA) where: Base-Base interactions energy: -20.735 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.018 local terms energy: -22.150879 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: 0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -35.668025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.668025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.668025 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.009 local terms energy: -28.010923 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -5.412 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: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -74.068074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.068074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.068074 (E_RNA) where: Base-Base interactions energy: -39.387 where: short stacking energy: -24.778 Base-Backbone interact. energy: -0.001 local terms energy: -34.680233 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -56.243930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.243930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.243930 (E_RNA) where: Base-Base interactions energy: -25.228 where: short stacking energy: -24.721 Base-Backbone interact. energy: -0.012 local terms energy: -31.003543 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -5.737 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: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -54.038095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.038095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.038095 (E_RNA) where: Base-Base interactions energy: -19.045 where: short stacking energy: -19.045 Base-Backbone interact. energy: -0.094 local terms energy: -34.899873 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.662 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: 4, replica: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -62.500902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.500902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.500902 (E_RNA) where: Base-Base interactions energy: -26.884 where: short stacking energy: -26.884 Base-Backbone interact. energy: -0.001 local terms energy: -35.615494 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -64.161273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.161273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.161273 (E_RNA) where: Base-Base interactions energy: -27.931 where: short stacking energy: -27.931 Base-Backbone interact. energy: -0.003 local terms energy: -36.227054 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -5.660 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: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -53.629999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.629999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.629999 (E_RNA) where: Base-Base interactions energy: -22.203 where: short stacking energy: -22.203 Base-Backbone interact. energy: -0.001 local terms energy: -31.426460 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -3.119 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: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -45.477616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.477616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.477616 (E_RNA) where: Base-Base interactions energy: -18.276 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.114 local terms energy: -27.087101 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -48.180092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.180092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.180092 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.004 local terms energy: -32.932937 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -3.057 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: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -44.768777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.768777 (E_RNA) where: Base-Base interactions energy: -14.528 where: short stacking energy: -14.528 Base-Backbone interact. energy: 0.584 local terms energy: -30.824780 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -38.821381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.821381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.821381 (E_RNA) where: Base-Base interactions energy: -15.553 where: short stacking energy: -15.553 Base-Backbone interact. energy: -0.088 local terms energy: -23.180170 where: bonds (distance) C4'-P energy: -2.835 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -5.107 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: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -79.775177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.775177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.775177 (E_RNA) where: Base-Base interactions energy: -37.521 where: short stacking energy: -33.191 Base-Backbone interact. energy: -0.000 local terms energy: -42.254522 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -10.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -61.917067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.917067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.917067 (E_RNA) where: Base-Base interactions energy: -25.938 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.000 local terms energy: -35.978649 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -52.979222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.979222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.979222 (E_RNA) where: Base-Base interactions energy: -24.898 where: short stacking energy: -24.898 Base-Backbone interact. energy: -0.010 local terms energy: -28.071327 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.257 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -63.560375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.560375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.560375 (E_RNA) where: Base-Base interactions energy: -26.612 where: short stacking energy: -26.612 Base-Backbone interact. energy: -0.000 local terms energy: -36.948277 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -5.166 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: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -51.006915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.006915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.006915 (E_RNA) where: Base-Base interactions energy: -21.712 where: short stacking energy: -20.852 Base-Backbone interact. energy: -0.087 local terms energy: -29.207633 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -6.865 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: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -45.444315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.444315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.444315 (E_RNA) where: Base-Base interactions energy: -15.466 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.076 local terms energy: -29.902861 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -49.709296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.709296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.709296 (E_RNA) where: Base-Base interactions energy: -23.555 where: short stacking energy: -23.555 Base-Backbone interact. energy: -0.040 local terms energy: -26.114720 where: bonds (distance) C4'-P energy: -5.635 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -5.029 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: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -45.578813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.578813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.578813 (E_RNA) where: Base-Base interactions energy: -14.908 where: short stacking energy: -14.908 Base-Backbone interact. energy: -0.116 local terms energy: -30.554695 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -40.721980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.721980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.721980 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.515 Base-Backbone interact. energy: -0.109 local terms energy: -27.097720 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -47.465121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.465121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.465121 (E_RNA) where: Base-Base interactions energy: -20.997 where: short stacking energy: -20.997 Base-Backbone interact. energy: -0.006 local terms energy: -26.461796 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -5.716 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -66.030419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.030419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.030419 (E_RNA) where: Base-Base interactions energy: -28.214 where: short stacking energy: -25.907 Base-Backbone interact. energy: -0.001 local terms energy: -37.815771 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -64.078248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.078248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.078248 (E_RNA) where: Base-Base interactions energy: -31.398 where: short stacking energy: -31.398 Base-Backbone interact. energy: -0.034 local terms energy: -32.645839 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -59.367563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.367563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.367563 (E_RNA) where: Base-Base interactions energy: -21.026 where: short stacking energy: -21.026 Base-Backbone interact. energy: -0.000 local terms energy: -38.340942 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -7.605 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: 385 Temperature: 1.050000 Total energy: -59.587673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.587673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.587673 (E_RNA) where: Base-Base interactions energy: -27.651 where: short stacking energy: -27.651 Base-Backbone interact. energy: -0.001 local terms energy: -31.936144 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -5.270 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -53.974240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.974240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.974240 (E_RNA) where: Base-Base interactions energy: -27.111 where: short stacking energy: -19.475 Base-Backbone interact. energy: -0.214 local terms energy: -26.649149 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.126 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: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -52.259800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.259800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.259800 (E_RNA) where: Base-Base interactions energy: -18.058 where: short stacking energy: -18.058 Base-Backbone interact. energy: -0.000 local terms energy: -34.201661 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -50.380540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.380540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.380540 (E_RNA) where: Base-Base interactions energy: -30.378 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.079 local terms energy: -19.924507 where: bonds (distance) C4'-P energy: -2.268 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -41.807227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.807227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.807227 (E_RNA) where: Base-Base interactions energy: -18.464 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.027 local terms energy: -23.316251 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -42.945062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.945062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.945062 (E_RNA) where: Base-Base interactions energy: -13.884 where: short stacking energy: -13.262 Base-Backbone interact. energy: -0.034 local terms energy: -29.027278 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: 0.716 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: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -43.407148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.407148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.407148 (E_RNA) where: Base-Base interactions energy: -20.807 where: short stacking energy: -20.807 Base-Backbone interact. energy: -0.000 local terms energy: -22.600297 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: 0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -75.743185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.743185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.743185 (E_RNA) where: Base-Base interactions energy: -41.004 where: short stacking energy: -23.866 Base-Backbone interact. energy: -0.417 local terms energy: -34.321295 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -66.987981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.987981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.987981 (E_RNA) where: Base-Base interactions energy: -30.142 where: short stacking energy: -30.142 Base-Backbone interact. energy: -0.016 local terms energy: -36.829617 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -6.560 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: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -71.310269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.310269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.310269 (E_RNA) where: Base-Base interactions energy: -39.348 where: short stacking energy: -22.071 Base-Backbone interact. energy: -0.001 local terms energy: -31.961621 where: bonds (distance) C4'-P energy: -6.601 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -5.044 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: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -55.560481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.560481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.560481 (E_RNA) where: Base-Base interactions energy: -20.704 where: short stacking energy: -20.704 Base-Backbone interact. energy: -0.005 local terms energy: -34.851372 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -50.480967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.480967 (E_RNA) where: Base-Base interactions energy: -20.476 where: short stacking energy: -20.476 Base-Backbone interact. energy: -0.000 local terms energy: -30.004276 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -5.986 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: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -47.515537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.515537 (E_RNA) where: Base-Base interactions energy: -18.599 where: short stacking energy: -18.599 Base-Backbone interact. energy: -0.038 local terms energy: -28.878455 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: 1.389 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: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -46.001593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.001593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.001593 (E_RNA) where: Base-Base interactions energy: -25.676 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.095 local terms energy: -20.230650 where: bonds (distance) C4'-P energy: -3.300 bonds (distance) P-C4' energy: -4.573 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.032 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: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -48.942095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.942095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.942095 (E_RNA) where: Base-Base interactions energy: -20.574 where: short stacking energy: -20.574 Base-Backbone interact. energy: 0.028 local terms energy: -28.396278 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -38.895578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.895578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.895578 (E_RNA) where: Base-Base interactions energy: -14.180 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.017 local terms energy: -24.699126 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -2.425 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -44.592842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.592842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.592842 (E_RNA) where: Base-Base interactions energy: -18.242 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.000 local terms energy: -26.351082 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -71.191426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.191426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.191426 (E_RNA) where: Base-Base interactions energy: -35.015 where: short stacking energy: -25.489 Base-Backbone interact. energy: -0.145 local terms energy: -36.031726 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -65.961332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.961332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.961332 (E_RNA) where: Base-Base interactions energy: -31.747 where: short stacking energy: -31.747 Base-Backbone interact. energy: -0.001 local terms energy: -34.213255 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -51.271589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.271589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.271589 (E_RNA) where: Base-Base interactions energy: -20.647 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.446 local terms energy: -30.178207 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -54.921950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.921950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.921950 (E_RNA) where: Base-Base interactions energy: -22.702 where: short stacking energy: -22.702 Base-Backbone interact. energy: -0.005 local terms energy: -32.215279 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -52.948927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.948927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.948927 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -18.801 Base-Backbone interact. energy: -0.044 local terms energy: -29.724258 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -56.884334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.884334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.884334 (E_RNA) where: Base-Base interactions energy: -26.917 where: short stacking energy: -25.914 Base-Backbone interact. energy: -0.000 local terms energy: -29.967333 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -7.270 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: 387 Temperature: 1.200000 Total energy: -53.693978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.693978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.693978 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -19.848 Base-Backbone interact. energy: -0.872 local terms energy: -29.588579 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -45.260979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.260979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.260979 (E_RNA) where: Base-Base interactions energy: -18.531 where: short stacking energy: -18.531 Base-Backbone interact. energy: -0.096 local terms energy: -26.633925 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -42.800762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.800762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.800762 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.518 local terms energy: -31.961311 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -6.072 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: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -46.831232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.831232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.831232 (E_RNA) where: Base-Base interactions energy: -17.361 where: short stacking energy: -17.361 Base-Backbone interact. energy: -0.000 local terms energy: -29.470249 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -6.062 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: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -68.592330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.592330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.592330 (E_RNA) where: Base-Base interactions energy: -33.272 where: short stacking energy: -23.974 Base-Backbone interact. energy: 0.345 local terms energy: -35.665337 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -6.022 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: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -73.283480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.283480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.283480 (E_RNA) where: Base-Base interactions energy: -40.130 where: short stacking energy: -20.252 Base-Backbone interact. energy: -0.488 local terms energy: -32.665051 where: bonds (distance) C4'-P energy: -7.022 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -60.551113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.551113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.551113 (E_RNA) where: Base-Base interactions energy: -29.330 where: short stacking energy: -24.052 Base-Backbone interact. energy: -0.000 local terms energy: -31.220829 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -54.929219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.929219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.929219 (E_RNA) where: Base-Base interactions energy: -27.988 where: short stacking energy: -26.831 Base-Backbone interact. energy: -0.010 local terms energy: -26.930864 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -4.080 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.166 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: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -73.550626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.550626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.550626 (E_RNA) where: Base-Base interactions energy: -39.083 where: short stacking energy: -28.414 Base-Backbone interact. energy: 1.042 local terms energy: -35.509606 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -7.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -49.574106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.574106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.574106 (E_RNA) where: Base-Base interactions energy: -19.333 where: short stacking energy: -19.333 Base-Backbone interact. energy: -0.142 local terms energy: -30.099176 where: bonds (distance) C4'-P energy: -3.610 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -4.751 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: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -45.360170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.360170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.360170 (E_RNA) where: Base-Base interactions energy: -14.911 where: short stacking energy: -14.911 Base-Backbone interact. energy: -0.096 local terms energy: -30.353745 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -43.728823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.728823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.728823 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.003 local terms energy: -30.168947 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -39.294638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.294638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.294638 (E_RNA) where: Base-Base interactions energy: -12.200 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.838 local terms energy: -26.256411 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -1.399 tors. eta vs tors. theta energy: 0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -47.376934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376934 (E_RNA) where: Base-Base interactions energy: -24.943 where: short stacking energy: -15.325 Base-Backbone interact. energy: -0.005 local terms energy: -22.428490 where: bonds (distance) C4'-P energy: -3.832 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -77.383972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.383972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.383972 (E_RNA) where: Base-Base interactions energy: -39.201 where: short stacking energy: -29.022 Base-Backbone interact. energy: -0.016 local terms energy: -38.166834 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -68.403269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.403269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.403269 (E_RNA) where: Base-Base interactions energy: -30.620 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.000 local terms energy: -37.783473 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -8.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -63.745361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.745361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.745361 (E_RNA) where: Base-Base interactions energy: -35.000 where: short stacking energy: -20.832 Base-Backbone interact. energy: -0.031 local terms energy: -28.713961 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -3.392 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: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -64.425242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.425242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.425242 (E_RNA) where: Base-Base interactions energy: -30.545 where: short stacking energy: -26.864 Base-Backbone interact. energy: -0.000 local terms energy: -33.880126 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -46.738519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.738519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.738519 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.002 local terms energy: -26.755332 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -0.198 tors. eta vs tors. theta energy: -5.944 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: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -52.536762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.536762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.536762 (E_RNA) where: Base-Base interactions energy: -21.407 where: short stacking energy: -21.407 Base-Backbone interact. energy: -0.033 local terms energy: -31.096951 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -45.665397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.665397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.665397 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.057 local terms energy: -32.265846 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -6.328 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: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -52.891281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.891281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.891281 (E_RNA) where: Base-Base interactions energy: -20.542 where: short stacking energy: -20.542 Base-Backbone interact. energy: -0.041 local terms energy: -32.307995 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -46.644981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.644981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.644981 (E_RNA) where: Base-Base interactions energy: -15.313 where: short stacking energy: -15.313 Base-Backbone interact. energy: -0.001 local terms energy: -31.331281 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -3.426 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: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -46.768690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.768690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.768690 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.001 local terms energy: -29.224214 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -1.024 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: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -72.787570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.787570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.787570 (E_RNA) where: Base-Base interactions energy: -29.096 where: short stacking energy: -29.096 Base-Backbone interact. energy: -0.000 local terms energy: -43.691196 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -67.732679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.732679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.732679 (E_RNA) where: Base-Base interactions energy: -35.640 where: short stacking energy: -26.903 Base-Backbone interact. energy: -0.008 local terms energy: -32.085499 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -6.408 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: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -61.624130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.624130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.624130 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.005 local terms energy: -36.077548 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -63.163197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.163197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.163197 (E_RNA) where: Base-Base interactions energy: -31.437 where: short stacking energy: -31.437 Base-Backbone interact. energy: -0.002 local terms energy: -31.723424 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -58.189536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.189536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.189536 (E_RNA) where: Base-Base interactions energy: -23.298 where: short stacking energy: -23.298 Base-Backbone interact. energy: -0.000 local terms energy: -34.891953 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -50.958096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958096 (E_RNA) where: Base-Base interactions energy: -21.864 where: short stacking energy: -21.864 Base-Backbone interact. energy: -0.001 local terms energy: -29.092641 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -46.080705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.080705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.080705 (E_RNA) where: Base-Base interactions energy: -17.839 where: short stacking energy: -10.781 Base-Backbone interact. energy: -0.002 local terms energy: -28.238901 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -3.706 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: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -54.915010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.915010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.915010 (E_RNA) where: Base-Base interactions energy: -26.907 where: short stacking energy: -15.240 Base-Backbone interact. energy: -0.049 local terms energy: -27.959273 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.553 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: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -41.136836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.136836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.136836 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.091 local terms energy: -28.501547 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -6.858 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: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -38.498788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.498788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.498788 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: -0.132 local terms energy: -28.956967 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -66.828620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.828620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.828620 (E_RNA) where: Base-Base interactions energy: -28.367 where: short stacking energy: -28.367 Base-Backbone interact. energy: -0.000 local terms energy: -38.461263 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -8.850 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: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -59.716809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.716809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.716809 (E_RNA) where: Base-Base interactions energy: -27.245 where: short stacking energy: -27.245 Base-Backbone interact. energy: -0.017 local terms energy: -32.454314 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -7.675 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: 391 Temperature: 1.000000 Total energy: -58.298630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.298630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.298630 (E_RNA) where: Base-Base interactions energy: -24.527 where: short stacking energy: -21.265 Base-Backbone interact. energy: -0.000 local terms energy: -33.771466 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -6.022 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: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -64.274723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.274723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.274723 (E_RNA) where: Base-Base interactions energy: -31.022 where: short stacking energy: -31.022 Base-Backbone interact. energy: -0.000 local terms energy: -33.252713 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -50.862659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.862659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.862659 (E_RNA) where: Base-Base interactions energy: -21.637 where: short stacking energy: -21.637 Base-Backbone interact. energy: -0.415 local terms energy: -28.811223 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -46.678826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.678826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.678826 (E_RNA) where: Base-Base interactions energy: -17.294 where: short stacking energy: -17.294 Base-Backbone interact. energy: -0.012 local terms energy: -29.373102 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -5.365 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: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -53.295101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.295101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.295101 (E_RNA) where: Base-Base interactions energy: -24.888 where: short stacking energy: -24.888 Base-Backbone interact. energy: -0.000 local terms energy: -28.406776 where: bonds (distance) C4'-P energy: -0.885 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -42.718237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.718237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.718237 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.325 local terms energy: -26.148189 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -0.644 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: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -41.527752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.527752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.527752 (E_RNA) where: Base-Base interactions energy: -12.664 where: short stacking energy: -12.664 Base-Backbone interact. energy: 1.066 local terms energy: -29.930172 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -43.295419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.295419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.295419 (E_RNA) where: Base-Base interactions energy: -15.928 where: short stacking energy: -13.680 Base-Backbone interact. energy: -0.088 local terms energy: -27.280103 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -2.435 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: 1, replica: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -57.132257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.132257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.132257 (E_RNA) where: Base-Base interactions energy: -24.802 where: short stacking energy: -21.597 Base-Backbone interact. energy: 0.067 local terms energy: -32.396676 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -6.557 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: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -66.087207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.087207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.087207 (E_RNA) where: Base-Base interactions energy: -26.847 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.000 local terms energy: -39.240192 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -56.250832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.250832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.250832 (E_RNA) where: Base-Base interactions energy: -23.678 where: short stacking energy: -22.121 Base-Backbone interact. energy: -0.000 local terms energy: -32.572692 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -58.811979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.811979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.811979 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -25.825 Base-Backbone interact. energy: -0.046 local terms energy: -32.940464 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -52.954757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.954757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.954757 (E_RNA) where: Base-Base interactions energy: -20.459 where: short stacking energy: -20.459 Base-Backbone interact. energy: -0.004 local terms energy: -32.491344 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -5.165 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: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -54.598577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.598577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.598577 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.043 local terms energy: -33.204984 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.951 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: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -52.507416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.507416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.507416 (E_RNA) where: Base-Base interactions energy: -20.063 where: short stacking energy: -20.063 Base-Backbone interact. energy: -0.100 local terms energy: -32.344679 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -45.435235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.435235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.435235 (E_RNA) where: Base-Base interactions energy: -14.989 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.003 local terms energy: -30.443112 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -6.815 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -44.950807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.950807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.950807 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.720 Base-Backbone interact. energy: -0.111 local terms energy: -32.119631 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -39.666680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.666680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.666680 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.042 local terms energy: -27.348339 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -70.316254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.316254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.316254 (E_RNA) where: Base-Base interactions energy: -34.097 where: short stacking energy: -20.027 Base-Backbone interact. energy: -0.175 local terms energy: -36.044265 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -66.288139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.288139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.288139 (E_RNA) where: Base-Base interactions energy: -27.624 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.000 local terms energy: -38.664522 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -10.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -60.891364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.891364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.891364 (E_RNA) where: Base-Base interactions energy: -26.404 where: short stacking energy: -25.936 Base-Backbone interact. energy: -0.000 local terms energy: -34.486852 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -7.087 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: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -55.184818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.184818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.184818 (E_RNA) where: Base-Base interactions energy: -23.793 where: short stacking energy: -23.793 Base-Backbone interact. energy: -0.003 local terms energy: -31.388433 where: bonds (distance) C4'-P energy: -5.683 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -6.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -58.701232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.701232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.701232 (E_RNA) where: Base-Base interactions energy: -24.417 where: short stacking energy: -24.417 Base-Backbone interact. energy: -0.004 local terms energy: -34.280961 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -3.955 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: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -46.415044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.415044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.415044 (E_RNA) where: Base-Base interactions energy: -13.805 where: short stacking energy: -13.805 Base-Backbone interact. energy: -0.008 local terms energy: -32.602258 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -42.387348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.387348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.387348 (E_RNA) where: Base-Base interactions energy: -15.599 where: short stacking energy: -15.599 Base-Backbone interact. energy: -0.165 local terms energy: -26.622905 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -43.722238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.722238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.722238 (E_RNA) where: Base-Base interactions energy: -15.105 where: short stacking energy: -15.105 Base-Backbone interact. energy: -0.214 local terms energy: -28.402346 where: bonds (distance) C4'-P energy: -8.316 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -49.937668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.937668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.937668 (E_RNA) where: Base-Base interactions energy: -18.130 where: short stacking energy: -18.130 Base-Backbone interact. energy: -0.126 local terms energy: -31.681115 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -51.141240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.141240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.141240 (E_RNA) where: Base-Base interactions energy: -19.776 where: short stacking energy: -19.776 Base-Backbone interact. energy: -0.001 local terms energy: -31.364922 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -2.038 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: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -58.956583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.956583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.956583 (E_RNA) where: Base-Base interactions energy: -25.027 where: short stacking energy: -19.783 Base-Backbone interact. energy: -0.004 local terms energy: -33.926014 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -5.371 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: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -69.645529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.645529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.645529 (E_RNA) where: Base-Base interactions energy: -36.196 where: short stacking energy: -22.330 Base-Backbone interact. energy: -0.169 local terms energy: -33.280755 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -3.703 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: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -50.096055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.096055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.096055 (E_RNA) where: Base-Base interactions energy: -21.939 where: short stacking energy: -21.939 Base-Backbone interact. energy: 1.621 local terms energy: -29.777927 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -53.042224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.042224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.042224 (E_RNA) where: Base-Base interactions energy: -23.286 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.002 local terms energy: -29.754481 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -61.237179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.237179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.237179 (E_RNA) where: Base-Base interactions energy: -29.569 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.013 local terms energy: -31.654813 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -47.838141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.838141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.838141 (E_RNA) where: Base-Base interactions energy: -16.822 where: short stacking energy: -16.736 Base-Backbone interact. energy: -0.077 local terms energy: -30.939372 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.608 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -6.968 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: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -44.841410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.841410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.841410 (E_RNA) where: Base-Base interactions energy: -12.496 where: short stacking energy: -12.496 Base-Backbone interact. energy: 0.220 local terms energy: -32.566227 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -4.562 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: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -46.985030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.985030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.985030 (E_RNA) where: Base-Base interactions energy: -14.272 where: short stacking energy: -14.272 Base-Backbone interact. energy: -0.018 local terms energy: -32.694793 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -4.146 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: 394 Temperature: 1.300000 Total energy: -43.229048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.229048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.229048 (E_RNA) where: Base-Base interactions energy: -12.267 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.073 local terms energy: -30.888930 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -52.343537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.343537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.343537 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -17.432 Base-Backbone interact. energy: -0.101 local terms energy: -34.810578 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -55.754059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.754059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.754059 (E_RNA) where: Base-Base interactions energy: -21.849 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.033 local terms energy: -33.871590 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -6.691 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: 2, replica: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -64.139776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.139776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.139776 (E_RNA) where: Base-Base interactions energy: -26.695 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.008 local terms energy: -37.436916 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -5.535 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: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -77.104185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.104185 (E_RNA) where: Base-Base interactions energy: -40.908 where: short stacking energy: -33.981 Base-Backbone interact. energy: -0.004 local terms energy: -36.191768 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -71.514613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.514613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.514613 (E_RNA) where: Base-Base interactions energy: -31.152 where: short stacking energy: -31.152 Base-Backbone interact. energy: -0.000 local terms energy: -40.362827 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -8.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -51.810461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.810461 (E_RNA) where: Base-Base interactions energy: -24.472 where: short stacking energy: -16.375 Base-Backbone interact. energy: 1.973 local terms energy: -29.311957 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -50.698557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.698557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.698557 (E_RNA) where: Base-Base interactions energy: -19.964 where: short stacking energy: -19.964 Base-Backbone interact. energy: -0.084 local terms energy: -30.650244 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.804 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: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -51.755777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.755777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.755777 (E_RNA) where: Base-Base interactions energy: -22.806 where: short stacking energy: -22.806 Base-Backbone interact. energy: -0.039 local terms energy: -28.910842 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -56.021292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.021292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.021292 (E_RNA) where: Base-Base interactions energy: -21.361 where: short stacking energy: -21.361 Base-Backbone interact. energy: -0.001 local terms energy: -34.659764 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.945 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -49.986884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.986884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.986884 (E_RNA) where: Base-Base interactions energy: -22.590 where: short stacking energy: -17.209 Base-Backbone interact. energy: -0.037 local terms energy: -27.360372 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -3.117 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -44.834787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.834787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.834787 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.110 local terms energy: -27.299897 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: 1.309 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: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -65.724942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.724942 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -27.447 Base-Backbone interact. energy: -0.000 local terms energy: -38.277931 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -63.061977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.061977 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -26.776 Base-Backbone interact. energy: -0.001 local terms energy: -36.063032 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.578 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: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -84.693382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.693382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.693382 (E_RNA) where: Base-Base interactions energy: -49.144 where: short stacking energy: -25.871 Base-Backbone interact. energy: 1.143 local terms energy: -36.692708 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -5.443 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: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -59.883753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.883753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.883753 (E_RNA) where: Base-Base interactions energy: -23.086 where: short stacking energy: -22.630 Base-Backbone interact. energy: -0.000 local terms energy: -36.797001 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -60.330648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.330648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.330648 (E_RNA) where: Base-Base interactions energy: -28.137 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.005 local terms energy: -32.189310 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -6.689 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: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -51.775996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.775996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.775996 (E_RNA) where: Base-Base interactions energy: -28.601 where: short stacking energy: -18.212 Base-Backbone interact. energy: -0.047 local terms energy: -23.128265 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: 0.135 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -43.801237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.801237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.801237 (E_RNA) where: Base-Base interactions energy: -15.291 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.064 local terms energy: -28.446527 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -5.259 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: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -51.112227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.112227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.112227 (E_RNA) where: Base-Base interactions energy: -21.039 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.002 local terms energy: -30.071483 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -47.354120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.354120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.354120 (E_RNA) where: Base-Base interactions energy: -18.405 where: short stacking energy: -15.972 Base-Backbone interact. energy: -0.000 local terms energy: -28.948576 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.545 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: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -45.193980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.193980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.193980 (E_RNA) where: Base-Base interactions energy: -17.182 where: short stacking energy: -17.182 Base-Backbone interact. energy: -0.011 local terms energy: -28.001040 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -67.435876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.435876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.435876 (E_RNA) where: Base-Base interactions energy: -29.643 where: short stacking energy: -29.643 Base-Backbone interact. energy: -0.040 local terms energy: -37.753053 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -6.924 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: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -84.211592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.211592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.211592 (E_RNA) where: Base-Base interactions energy: -49.592 where: short stacking energy: -26.163 Base-Backbone interact. energy: 0.360 local terms energy: -34.979972 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -62.246286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.246286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.246286 (E_RNA) where: Base-Base interactions energy: -26.434 where: short stacking energy: -26.434 Base-Backbone interact. energy: -0.005 local terms energy: -35.807183 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -55.871687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.871687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.871687 (E_RNA) where: Base-Base interactions energy: -23.585 where: short stacking energy: -23.585 Base-Backbone interact. energy: -0.002 local terms energy: -32.284230 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.064 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -6.506 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: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -51.481641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.481641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.481641 (E_RNA) where: Base-Base interactions energy: -15.325 where: short stacking energy: -15.325 Base-Backbone interact. energy: -0.001 local terms energy: -36.155551 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -66.211465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.211465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.211465 (E_RNA) where: Base-Base interactions energy: -39.341 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.020 local terms energy: -26.849685 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -49.463965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.463965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.463965 (E_RNA) where: Base-Base interactions energy: -18.312 where: short stacking energy: -17.879 Base-Backbone interact. energy: -0.014 local terms energy: -31.137768 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.904 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: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -56.418508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.418508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.418508 (E_RNA) where: Base-Base interactions energy: -23.324 where: short stacking energy: -21.070 Base-Backbone interact. energy: -0.000 local terms energy: -33.094501 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -41.158381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158381 (E_RNA) where: Base-Base interactions energy: -15.840 where: short stacking energy: -11.374 Base-Backbone interact. energy: -0.022 local terms energy: -25.296561 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.853 flat angles P-C4'-P energy: -5.751 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: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -41.107182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.107182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.107182 (E_RNA) where: Base-Base interactions energy: -12.883 where: short stacking energy: -12.883 Base-Backbone interact. energy: -0.000 local terms energy: -28.223540 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -1.052 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -77.762290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.762290 (E_RNA) where: Base-Base interactions energy: -43.330 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.000 local terms energy: -34.432121 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -4.403 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: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -80.076945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.076945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.076945 (E_RNA) where: Base-Base interactions energy: -44.390 where: short stacking energy: -28.922 Base-Backbone interact. energy: -0.129 local terms energy: -35.557983 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -58.100007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.100007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.100007 (E_RNA) where: Base-Base interactions energy: -30.297 where: short stacking energy: -19.345 Base-Backbone interact. energy: -0.039 local terms energy: -27.763286 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -3.324 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: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -51.196379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.196379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.196379 (E_RNA) where: Base-Base interactions energy: -22.462 where: short stacking energy: -15.939 Base-Backbone interact. energy: -0.086 local terms energy: -28.648712 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -5.355 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -50.107209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.107209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.107209 (E_RNA) where: Base-Base interactions energy: -25.809 where: short stacking energy: -20.169 Base-Backbone interact. energy: -0.117 local terms energy: -24.181179 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: 0.968 tors. eta vs tors. theta energy: -0.925 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: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -54.439491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.439491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.439491 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -15.826 Base-Backbone interact. energy: -0.044 local terms energy: -32.744649 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -48.463176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.463176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.463176 (E_RNA) where: Base-Base interactions energy: -16.458 where: short stacking energy: -15.328 Base-Backbone interact. energy: -0.075 local terms energy: -31.930285 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -4.525 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: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -42.109518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.109518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.109518 (E_RNA) where: Base-Base interactions energy: -13.638 where: short stacking energy: -13.638 Base-Backbone interact. energy: -0.090 local terms energy: -28.382006 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -7.594 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: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -45.018904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.018904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.018904 (E_RNA) where: Base-Base interactions energy: -14.995 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.235 local terms energy: -29.789137 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -42.638217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.638217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.638217 (E_RNA) where: Base-Base interactions energy: -17.717 where: short stacking energy: -14.812 Base-Backbone interact. energy: -0.001 local terms energy: -24.920752 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.096 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: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -51.542350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.542350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.542350 (E_RNA) where: Base-Base interactions energy: -21.979 where: short stacking energy: -21.979 Base-Backbone interact. energy: -0.107 local terms energy: -29.456523 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.276 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: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -52.537730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.537730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.537730 (E_RNA) where: Base-Base interactions energy: -17.778 where: short stacking energy: -17.778 Base-Backbone interact. energy: -0.095 local terms energy: -34.664065 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -7.315 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: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -75.023336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.023336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.023336 (E_RNA) where: Base-Base interactions energy: -37.061 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.006 local terms energy: -37.955625 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -52.555215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.555215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.555215 (E_RNA) where: Base-Base interactions energy: -18.659 where: short stacking energy: -18.659 Base-Backbone interact. energy: -0.030 local terms energy: -33.866530 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -49.458452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.458452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.458452 (E_RNA) where: Base-Base interactions energy: -24.442 where: short stacking energy: -21.415 Base-Backbone interact. energy: 1.027 local terms energy: -26.043097 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -44.824086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.824086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.824086 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -12.178 Base-Backbone interact. energy: -0.074 local terms energy: -31.605331 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -46.369087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.369087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.369087 (E_RNA) where: Base-Base interactions energy: -21.517 where: short stacking energy: -15.942 Base-Backbone interact. energy: -0.066 local terms energy: -24.785613 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -49.024715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.024715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.024715 (E_RNA) where: Base-Base interactions energy: -15.951 where: short stacking energy: -15.951 Base-Backbone interact. energy: -0.052 local terms energy: -33.021042 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -52.468539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.468539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.468539 (E_RNA) where: Base-Base interactions energy: -23.450 where: short stacking energy: -14.508 Base-Backbone interact. energy: -0.020 local terms energy: -28.998070 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.892 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: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -44.596445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.596445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.596445 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -15.283 Base-Backbone interact. energy: -0.004 local terms energy: -29.310197 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -9.530 flat angles P-C4'-P energy: -5.475 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: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -67.208876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.208876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208876 (E_RNA) where: Base-Base interactions energy: -25.792 where: short stacking energy: -25.792 Base-Backbone interact. energy: -0.011 local terms energy: -41.405471 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -65.122594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.122594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.122594 (E_RNA) where: Base-Base interactions energy: -26.338 where: short stacking energy: -26.015 Base-Backbone interact. energy: -0.003 local terms energy: -38.782402 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -61.928772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.928772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.928772 (E_RNA) where: Base-Base interactions energy: -28.615 where: short stacking energy: -28.615 Base-Backbone interact. energy: -0.000 local terms energy: -33.313133 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -7.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -63.662500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.662500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.662500 (E_RNA) where: Base-Base interactions energy: -32.310 where: short stacking energy: -18.903 Base-Backbone interact. energy: -0.034 local terms energy: -31.318211 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -5.919 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: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -53.968606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.968606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.968606 (E_RNA) where: Base-Base interactions energy: -22.122 where: short stacking energy: -20.215 Base-Backbone interact. energy: -0.078 local terms energy: -31.768474 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -5.112 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: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -52.465067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.465067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.465067 (E_RNA) where: Base-Base interactions energy: -25.119 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.039 local terms energy: -27.306679 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -5.202 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: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -40.805615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.805615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.805615 (E_RNA) where: Base-Base interactions energy: -16.561 where: short stacking energy: -16.332 Base-Backbone interact. energy: -0.036 local terms energy: -24.209115 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.814 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: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -43.041795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041795 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.000 local terms energy: -28.613469 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -40.494576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.494576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.494576 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.053 local terms energy: -30.122326 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.474 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: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -43.221909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.221909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.221909 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.004 local terms energy: -27.211709 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -5.461 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: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -65.533621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.533621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.533621 (E_RNA) where: Base-Base interactions energy: -29.176 where: short stacking energy: -24.953 Base-Backbone interact. energy: -2.286 local terms energy: -34.070890 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -52.683144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.683144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.683144 (E_RNA) where: Base-Base interactions energy: -20.868 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.013 local terms energy: -31.801510 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -61.718214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.718214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.718214 (E_RNA) where: Base-Base interactions energy: -23.338 where: short stacking energy: -23.338 Base-Backbone interact. energy: -0.094 local terms energy: -38.286192 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -7.441 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: 401 Temperature: 1.050000 Total energy: -57.648001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.648001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.648001 (E_RNA) where: Base-Base interactions energy: -22.373 where: short stacking energy: -22.373 Base-Backbone interact. energy: -0.011 local terms energy: -35.264025 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -9.432 flat angles P-C4'-P energy: -6.468 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: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -54.689084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.689084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.689084 (E_RNA) where: Base-Base interactions energy: -25.040 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.024 local terms energy: -29.624920 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -7.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -46.077534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077534 (E_RNA) where: Base-Base interactions energy: -17.843 where: short stacking energy: -17.843 Base-Backbone interact. energy: -0.075 local terms energy: -28.159430 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.833 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: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -46.196447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.196447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.196447 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.006 local terms energy: -29.600717 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -44.336306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336306 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.021 local terms energy: -21.511085 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.284 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: 401 Temperature: 1.300000 Total energy: -42.221428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.221428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.221428 (E_RNA) where: Base-Base interactions energy: -16.731 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.000 local terms energy: -25.490245 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -2.748 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: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -44.035372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.035372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.035372 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -10.728 Base-Backbone interact. energy: -0.126 local terms energy: -26.017869 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -2.878 flat angles P-C4'-P energy: -0.909 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: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -70.654180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.654180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.654180 (E_RNA) where: Base-Base interactions energy: -32.364 where: short stacking energy: -32.364 Base-Backbone interact. energy: -0.000 local terms energy: -38.290600 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -9.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -62.426655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.426655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.426655 (E_RNA) where: Base-Base interactions energy: -27.508 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.001 local terms energy: -34.917689 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.467 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: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -65.052636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.052636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.052636 (E_RNA) where: Base-Base interactions energy: -27.213 where: short stacking energy: -27.213 Base-Backbone interact. energy: -0.000 local terms energy: -37.839062 where: bonds (distance) C4'-P energy: -7.786 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -60.094978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.094978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.094978 (E_RNA) where: Base-Base interactions energy: -29.087 where: short stacking energy: -29.087 Base-Backbone interact. energy: -0.005 local terms energy: -31.002670 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -48.313563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.313563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.313563 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -5.668 Base-Backbone interact. energy: -0.309 local terms energy: -29.030643 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -57.885553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.885553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.885553 (E_RNA) where: Base-Base interactions energy: -22.469 where: short stacking energy: -19.154 Base-Backbone interact. energy: -0.001 local terms energy: -35.414952 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -3.971 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: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -47.111531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.111531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.111531 (E_RNA) where: Base-Base interactions energy: -16.830 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.006 local terms energy: -30.275021 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -44.384351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384351 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.021 local terms energy: -34.057062 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -6.441 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: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -39.813254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.813254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.813254 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.006 local terms energy: -29.867217 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.851 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: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -40.071853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.071853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.071853 (E_RNA) where: Base-Base interactions energy: -13.797 where: short stacking energy: -13.797 Base-Backbone interact. energy: -0.014 local terms energy: -26.260854 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -67.791926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.791926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.791926 (E_RNA) where: Base-Base interactions energy: -29.746 where: short stacking energy: -29.746 Base-Backbone interact. energy: -0.011 local terms energy: -38.035381 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -8.535 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: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -66.072899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.072899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.072899 (E_RNA) where: Base-Base interactions energy: -36.411 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.004 local terms energy: -29.658128 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -61.331214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.331214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.331214 (E_RNA) where: Base-Base interactions energy: -24.650 where: short stacking energy: -24.650 Base-Backbone interact. energy: -0.000 local terms energy: -36.680615 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -7.577 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: 403 Temperature: 1.050000 Total energy: -68.053207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.053207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.053207 (E_RNA) where: Base-Base interactions energy: -38.952 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.002 local terms energy: -29.099084 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -2.764 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: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -52.720942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.720942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.720942 (E_RNA) where: Base-Base interactions energy: -24.291 where: short stacking energy: -24.291 Base-Backbone interact. energy: -0.019 local terms energy: -28.411272 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -55.113248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.113248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.113248 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.000 local terms energy: -35.620751 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -46.793411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.793411 (E_RNA) where: Base-Base interactions energy: -15.222 where: short stacking energy: -15.222 Base-Backbone interact. energy: -0.007 local terms energy: -31.564018 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -4.168 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: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -50.576732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.576732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.576732 (E_RNA) where: Base-Base interactions energy: -20.399 where: short stacking energy: -20.399 Base-Backbone interact. energy: -0.004 local terms energy: -30.174202 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -46.922397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.922397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.922397 (E_RNA) where: Base-Base interactions energy: -17.678 where: short stacking energy: -14.894 Base-Backbone interact. energy: -0.059 local terms energy: -29.186061 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -39.734255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.734255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.734255 (E_RNA) where: Base-Base interactions energy: -17.740 where: short stacking energy: -17.740 Base-Backbone interact. energy: -0.001 local terms energy: -21.993104 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.233 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -0.128 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -64.989545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.989545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.989545 (E_RNA) where: Base-Base interactions energy: -37.869 where: short stacking energy: -16.697 Base-Backbone interact. energy: -0.006 local terms energy: -27.115243 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -75.304799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.304799 (E_RNA) where: Base-Base interactions energy: -40.616 where: short stacking energy: -21.676 Base-Backbone interact. energy: -0.057 local terms energy: -34.631699 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -70.483334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.483334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.483334 (E_RNA) where: Base-Base interactions energy: -33.424 where: short stacking energy: -25.327 Base-Backbone interact. energy: -0.095 local terms energy: -36.965068 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -63.619807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.619807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.619807 (E_RNA) where: Base-Base interactions energy: -36.162 where: short stacking energy: -17.504 Base-Backbone interact. energy: -0.065 local terms energy: -27.392360 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -6.816 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -6.295 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: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -54.860848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.860848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.860848 (E_RNA) where: Base-Base interactions energy: -21.354 where: short stacking energy: -21.354 Base-Backbone interact. energy: -0.001 local terms energy: -33.505526 where: bonds (distance) C4'-P energy: -5.915 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -49.962899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.962899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.962899 (E_RNA) where: Base-Base interactions energy: -18.219 where: short stacking energy: -18.219 Base-Backbone interact. energy: -0.016 local terms energy: -31.727682 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -59.110486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.110486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.110486 (E_RNA) where: Base-Base interactions energy: -30.964 where: short stacking energy: -21.191 Base-Backbone interact. energy: -0.027 local terms energy: -28.119467 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -51.676796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.676796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.676796 (E_RNA) where: Base-Base interactions energy: -20.894 where: short stacking energy: -20.140 Base-Backbone interact. energy: -0.011 local terms energy: -30.771229 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -44.776262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.776262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.776262 (E_RNA) where: Base-Base interactions energy: -17.956 where: short stacking energy: -17.956 Base-Backbone interact. energy: -0.008 local terms energy: -26.812301 where: bonds (distance) C4'-P energy: -2.455 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -6.272 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -40.468926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468926 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -11.512 Base-Backbone interact. energy: -0.108 local terms energy: -28.327761 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.049 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: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -62.379896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.379896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.379896 (E_RNA) where: Base-Base interactions energy: -28.903 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.050 local terms energy: -33.427043 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.446 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -72.745402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.745402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.745402 (E_RNA) where: Base-Base interactions energy: -41.221 where: short stacking energy: -20.847 Base-Backbone interact. energy: -0.120 local terms energy: -31.404185 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -3.539 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: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -67.444583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.444583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.444583 (E_RNA) where: Base-Base interactions energy: -31.819 where: short stacking energy: -22.190 Base-Backbone interact. energy: -0.000 local terms energy: -35.625026 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -7.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -46.756347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.756347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.756347 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -12.462 Base-Backbone interact. energy: -0.000 local terms energy: -32.785166 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.339 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: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -44.867187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.867187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.867187 (E_RNA) where: Base-Base interactions energy: -16.285 where: short stacking energy: -16.285 Base-Backbone interact. energy: -0.001 local terms energy: -28.580772 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -6.273 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: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -50.237799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.237799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.237799 (E_RNA) where: Base-Base interactions energy: -16.732 where: short stacking energy: -16.732 Base-Backbone interact. energy: -0.062 local terms energy: -33.443724 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -3.217 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: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -48.828764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.828764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.828764 (E_RNA) where: Base-Base interactions energy: -20.448 where: short stacking energy: -20.448 Base-Backbone interact. energy: -0.001 local terms energy: -28.379908 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -40.258669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.258669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.258669 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.091 local terms energy: -25.223133 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -1.808 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: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -41.542947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.542947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.542947 (E_RNA) where: Base-Base interactions energy: -15.793 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.100 local terms energy: -25.649542 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -43.275085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.275085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.275085 (E_RNA) where: Base-Base interactions energy: -16.103 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.049 local terms energy: -27.122727 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -79.560747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.560747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.560747 (E_RNA) where: Base-Base interactions energy: -48.266 where: short stacking energy: -22.956 Base-Backbone interact. energy: -0.129 local terms energy: -31.165700 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -59.982789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.982789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.982789 (E_RNA) where: Base-Base interactions energy: -23.941 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.001 local terms energy: -36.041711 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -54.239457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.239457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.239457 (E_RNA) where: Base-Base interactions energy: -25.170 where: short stacking energy: -18.562 Base-Backbone interact. energy: -0.001 local terms energy: -29.068891 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -5.075 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: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -59.111191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.111191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.111191 (E_RNA) where: Base-Base interactions energy: -25.671 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.007 local terms energy: -33.433223 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -6.714 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: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -48.354054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.354054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.354054 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.048 local terms energy: -32.989535 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -5.546 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -45.399149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.399149 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.536 local terms energy: -26.509562 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -6.181 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -46.598442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.598442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.598442 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.808 Base-Backbone interact. energy: -0.070 local terms energy: -27.720504 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -6.856 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: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -48.070729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.070729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.070729 (E_RNA) where: Base-Base interactions energy: -23.353 where: short stacking energy: -14.218 Base-Backbone interact. energy: -0.009 local terms energy: -24.709103 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -44.365628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.365628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.365628 (E_RNA) where: Base-Base interactions energy: -19.064 where: short stacking energy: -18.792 Base-Backbone interact. energy: -0.066 local terms energy: -25.235028 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.952 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: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -49.830523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.830523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.830523 (E_RNA) where: Base-Base interactions energy: -19.761 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.009 local terms energy: -30.060507 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -4.005 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -3.556 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: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -79.893082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.893082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.893082 (E_RNA) where: Base-Base interactions energy: -44.387 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.022 local terms energy: -35.484384 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -3.033 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: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -64.763589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.763589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.763589 (E_RNA) where: Base-Base interactions energy: -28.031 where: short stacking energy: -28.031 Base-Backbone interact. energy: -0.000 local terms energy: -36.732960 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -6.284 tors. eta vs tors. theta energy: -6.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -55.191742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.191742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.191742 (E_RNA) where: Base-Base interactions energy: -22.676 where: short stacking energy: -22.676 Base-Backbone interact. energy: -0.198 local terms energy: -32.317610 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -54.329296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.329296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.329296 (E_RNA) where: Base-Base interactions energy: -19.270 where: short stacking energy: -19.270 Base-Backbone interact. energy: -0.028 local terms energy: -35.031529 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -55.261634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.261634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.261634 (E_RNA) where: Base-Base interactions energy: -23.861 where: short stacking energy: -20.410 Base-Backbone interact. energy: -0.001 local terms energy: -31.399768 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: 0.407 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -47.664479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.664479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.664479 (E_RNA) where: Base-Base interactions energy: -20.163 where: short stacking energy: -20.163 Base-Backbone interact. energy: -0.010 local terms energy: -27.491144 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -51.259638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.259638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.259638 (E_RNA) where: Base-Base interactions energy: -19.346 where: short stacking energy: -19.346 Base-Backbone interact. energy: -0.000 local terms energy: -31.913601 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -50.397107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.397107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.397107 (E_RNA) where: Base-Base interactions energy: -23.955 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.485 local terms energy: -25.956963 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -6.809 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.382 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: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -46.942943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.942943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.942943 (E_RNA) where: Base-Base interactions energy: -16.568 where: short stacking energy: -16.396 Base-Backbone interact. energy: -0.001 local terms energy: -30.374210 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.128 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: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -44.067765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.067765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.067765 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.041 local terms energy: -33.783961 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -81.990565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.990565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.990565 (E_RNA) where: Base-Base interactions energy: -45.442 where: short stacking energy: -20.129 Base-Backbone interact. energy: -0.128 local terms energy: -36.421170 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -7.025 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: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -67.812143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.812143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.812143 (E_RNA) where: Base-Base interactions energy: -30.974 where: short stacking energy: -30.974 Base-Backbone interact. energy: -0.000 local terms energy: -36.837746 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -64.483575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.483575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.483575 (E_RNA) where: Base-Base interactions energy: -26.136 where: short stacking energy: -26.136 Base-Backbone interact. energy: -0.000 local terms energy: -38.347405 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -60.720766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.720766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.720766 (E_RNA) where: Base-Base interactions energy: -26.201 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.011 local terms energy: -34.507959 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -58.284479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.284479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.284479 (E_RNA) where: Base-Base interactions energy: -26.881 where: short stacking energy: -26.881 Base-Backbone interact. energy: -0.000 local terms energy: -31.403795 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -45.930363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.930363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.930363 (E_RNA) where: Base-Base interactions energy: -19.618 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.134 local terms energy: -26.178275 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -2.818 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: 408 Temperature: 1.200000 Total energy: -60.218672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.218672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.218672 (E_RNA) where: Base-Base interactions energy: -26.150 where: short stacking energy: -21.955 Base-Backbone interact. energy: -0.001 local terms energy: -34.067833 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.306 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: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -49.734528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.734528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.734528 (E_RNA) where: Base-Base interactions energy: -20.323 where: short stacking energy: -20.323 Base-Backbone interact. energy: -0.000 local terms energy: -29.411970 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -3.796 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: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -41.190980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.190980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.190980 (E_RNA) where: Base-Base interactions energy: -16.366 where: short stacking energy: -16.366 Base-Backbone interact. energy: -0.030 local terms energy: -24.795390 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -44.557368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.557368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.557368 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -18.861 Base-Backbone interact. energy: -0.007 local terms energy: -25.689040 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -81.810476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.810476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.810476 (E_RNA) where: Base-Base interactions energy: -48.548 where: short stacking energy: -27.115 Base-Backbone interact. energy: -0.001 local terms energy: -33.261834 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -60.803198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.803198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.803198 (E_RNA) where: Base-Base interactions energy: -25.811 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.001 local terms energy: -34.991984 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -63.387406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.387406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.387406 (E_RNA) where: Base-Base interactions energy: -27.849 where: short stacking energy: -27.849 Base-Backbone interact. energy: -0.000 local terms energy: -35.538825 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -8.671 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: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -53.468220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.468220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.468220 (E_RNA) where: Base-Base interactions energy: -21.089 where: short stacking energy: -21.089 Base-Backbone interact. energy: -0.088 local terms energy: -32.291369 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -52.880893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.880893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.880893 (E_RNA) where: Base-Base interactions energy: -27.715 where: short stacking energy: -14.128 Base-Backbone interact. energy: -0.109 local terms energy: -25.056623 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -55.580055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.580055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.580055 (E_RNA) where: Base-Base interactions energy: -26.637 where: short stacking energy: -21.535 Base-Backbone interact. energy: -0.000 local terms energy: -28.942880 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -44.611966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.611966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.611966 (E_RNA) where: Base-Base interactions energy: -13.685 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.001 local terms energy: -30.926358 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -7.125 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: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -47.522489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.522489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.522489 (E_RNA) where: Base-Base interactions energy: -23.236 where: short stacking energy: -15.649 Base-Backbone interact. energy: -0.012 local terms energy: -24.274472 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -48.553679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.553679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.553679 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -17.649 Base-Backbone interact. energy: -0.008 local terms energy: -23.930791 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -49.795865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.795865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.795865 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.050 local terms energy: -32.985691 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -84.807516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.807516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.807516 (E_RNA) where: Base-Base interactions energy: -48.062 where: short stacking energy: -30.109 Base-Backbone interact. energy: 0.122 local terms energy: -36.867359 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -66.295509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.295509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.295509 (E_RNA) where: Base-Base interactions energy: -30.911 where: short stacking energy: -30.108 Base-Backbone interact. energy: -0.000 local terms energy: -35.384455 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -59.157260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.157260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.157260 (E_RNA) where: Base-Base interactions energy: -31.782 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.094 local terms energy: -27.281266 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -2.021 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -50.616755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.616755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.616755 (E_RNA) where: Base-Base interactions energy: -19.742 where: short stacking energy: -18.171 Base-Backbone interact. energy: -0.021 local terms energy: -30.853486 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -41.823595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.823595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.823595 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -11.065 Base-Backbone interact. energy: -0.052 local terms energy: -30.706569 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -9.039 flat angles P-C4'-P energy: -6.401 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: 6, replica: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -44.158745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.158745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.158745 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.012 local terms energy: -30.131822 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.340 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: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -42.426219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.426219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.426219 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.015 local terms energy: -26.660147 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -5.766 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -6.635 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: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -42.654824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.654824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.654824 (E_RNA) where: Base-Base interactions energy: -21.011 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.032 local terms energy: -21.611484 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -1.180 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -48.539607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.539607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.539607 (E_RNA) where: Base-Base interactions energy: -19.857 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.101 local terms energy: -28.581556 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -45.068832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.068832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.068832 (E_RNA) where: Base-Base interactions energy: -16.137 where: short stacking energy: -16.137 Base-Backbone interact. energy: -0.002 local terms energy: -28.930626 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -80.081229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.081229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.081229 (E_RNA) where: Base-Base interactions energy: -50.135 where: short stacking energy: -30.389 Base-Backbone interact. energy: -0.012 local terms energy: -29.934858 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -66.295729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.295729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.295729 (E_RNA) where: Base-Base interactions energy: -25.681 where: short stacking energy: -25.681 Base-Backbone interact. energy: -0.000 local terms energy: -40.614848 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -66.038098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.038098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.038098 (E_RNA) where: Base-Base interactions energy: -30.544 where: short stacking energy: -30.544 Base-Backbone interact. energy: -0.010 local terms energy: -35.484686 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -5.836 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: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -58.603916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.603916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.603916 (E_RNA) where: Base-Base interactions energy: -26.993 where: short stacking energy: -20.047 Base-Backbone interact. energy: -0.002 local terms energy: -31.609113 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.728 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: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -49.409500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.409500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.409500 (E_RNA) where: Base-Base interactions energy: -17.470 where: short stacking energy: -17.470 Base-Backbone interact. energy: -0.059 local terms energy: -31.880713 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.759 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: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -42.736843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.736843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.736843 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.891 local terms energy: -30.320193 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -50.013575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.013575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.013575 (E_RNA) where: Base-Base interactions energy: -20.961 where: short stacking energy: -20.800 Base-Backbone interact. energy: -0.033 local terms energy: -29.019426 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -6.604 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: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -57.405657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.405657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.405657 (E_RNA) where: Base-Base interactions energy: -27.325 where: short stacking energy: -27.325 Base-Backbone interact. energy: -0.000 local terms energy: -30.080230 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -43.704905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.704905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.704905 (E_RNA) where: Base-Base interactions energy: -19.847 where: short stacking energy: -17.603 Base-Backbone interact. energy: -0.092 local terms energy: -23.765728 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -2.292 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: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -50.141186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.141186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.141186 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -13.655 Base-Backbone interact. energy: -0.038 local terms energy: -36.448740 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -82.637696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.637696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.637696 (E_RNA) where: Base-Base interactions energy: -46.969 where: short stacking energy: -28.929 Base-Backbone interact. energy: -0.001 local terms energy: -35.667796 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -7.603 flat angles C4'-P-C4' energy: -8.996 flat angles P-C4'-P energy: -5.802 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: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -64.913300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.913300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.913300 (E_RNA) where: Base-Base interactions energy: -30.434 where: short stacking energy: -23.619 Base-Backbone interact. energy: -0.003 local terms energy: -34.476858 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -8.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -62.830036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.830036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.830036 (E_RNA) where: Base-Base interactions energy: -25.427 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.000 local terms energy: -37.402493 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -7.402 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -59.992877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.992877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.992877 (E_RNA) where: Base-Base interactions energy: -29.164 where: short stacking energy: -22.344 Base-Backbone interact. energy: -0.005 local terms energy: -30.823846 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -55.632596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.632596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.632596 (E_RNA) where: Base-Base interactions energy: -20.759 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.000 local terms energy: -34.873523 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -9.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -48.217051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.217051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.217051 (E_RNA) where: Base-Base interactions energy: -20.382 where: short stacking energy: -14.050 Base-Backbone interact. energy: 0.246 local terms energy: -28.081044 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -3.709 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: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -57.590826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.590826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.590826 (E_RNA) where: Base-Base interactions energy: -26.756 where: short stacking energy: -19.466 Base-Backbone interact. energy: -0.044 local terms energy: -30.790719 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -43.956363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.956363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.956363 (E_RNA) where: Base-Base interactions energy: -17.440 where: short stacking energy: -17.440 Base-Backbone interact. energy: -0.030 local terms energy: -26.486594 where: bonds (distance) C4'-P energy: -2.843 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.464 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -38.753206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.753206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.753206 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.036 local terms energy: -23.982681 where: bonds (distance) C4'-P energy: -2.081 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.208 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: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -38.086917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.086917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.086917 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -10.828 Base-Backbone interact. energy: 0.476 local terms energy: -27.734376 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -1.313 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -73.277224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.277224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.277224 (E_RNA) where: Base-Base interactions energy: -38.900 where: short stacking energy: -25.814 Base-Backbone interact. energy: -0.001 local terms energy: -34.376722 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -58.300438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.300438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.300438 (E_RNA) where: Base-Base interactions energy: -24.955 where: short stacking energy: -24.955 Base-Backbone interact. energy: -0.166 local terms energy: -33.179509 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -5.263 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: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -56.892583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.892583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.892583 (E_RNA) where: Base-Base interactions energy: -25.017 where: short stacking energy: -25.017 Base-Backbone interact. energy: -0.001 local terms energy: -31.875123 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -4.976 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: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -56.324432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.324432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.324432 (E_RNA) where: Base-Base interactions energy: -23.580 where: short stacking energy: -23.580 Base-Backbone interact. energy: -0.009 local terms energy: -32.735165 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.893 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: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -58.680868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.680868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.680868 (E_RNA) where: Base-Base interactions energy: -25.425 where: short stacking energy: -19.112 Base-Backbone interact. energy: -1.131 local terms energy: -32.125268 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -53.654589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.654589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.654589 (E_RNA) where: Base-Base interactions energy: -23.177 where: short stacking energy: -23.177 Base-Backbone interact. energy: -0.002 local terms energy: -30.476311 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -47.719731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.719731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.719731 (E_RNA) where: Base-Base interactions energy: -21.748 where: short stacking energy: -14.695 Base-Backbone interact. energy: -0.227 local terms energy: -25.745233 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -5.634 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -4.973 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: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -50.045760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.045760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.045760 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.012 local terms energy: -29.465685 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -43.069141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.069141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.069141 (E_RNA) where: Base-Base interactions energy: -22.237 where: short stacking energy: -15.289 Base-Backbone interact. energy: -0.176 local terms energy: -20.655856 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -1.541 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -44.213033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.213033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.213033 (E_RNA) where: Base-Base interactions energy: -15.255 where: short stacking energy: -15.255 Base-Backbone interact. energy: -0.001 local terms energy: -28.956829 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -78.116939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.116939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.116939 (E_RNA) where: Base-Base interactions energy: -46.348 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.805 local terms energy: -30.963246 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -65.529488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.529488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.529488 (E_RNA) where: Base-Base interactions energy: -29.432 where: short stacking energy: -26.250 Base-Backbone interact. energy: -0.003 local terms energy: -36.093860 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -58.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.786069 (E_RNA) where: Base-Base interactions energy: -27.276 where: short stacking energy: -16.026 Base-Backbone interact. energy: -0.093 local terms energy: -31.417302 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -6.106 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: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -62.532925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.532925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.532925 (E_RNA) where: Base-Base interactions energy: -24.457 where: short stacking energy: -24.457 Base-Backbone interact. energy: -0.000 local terms energy: -38.075631 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -51.038648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.038648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.038648 (E_RNA) where: Base-Base interactions energy: -23.790 where: short stacking energy: -23.790 Base-Backbone interact. energy: 0.401 local terms energy: -27.649832 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -7.071 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: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -58.322901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.322901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.322901 (E_RNA) where: Base-Base interactions energy: -22.239 where: short stacking energy: -14.768 Base-Backbone interact. energy: -0.014 local terms energy: -36.070056 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -45.005822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.005822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.005822 (E_RNA) where: Base-Base interactions energy: -25.792 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.018 local terms energy: -19.195192 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.990 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -0.628 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: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -45.734037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.734037 (E_RNA) where: Base-Base interactions energy: -17.364 where: short stacking energy: -14.168 Base-Backbone interact. energy: -0.015 local terms energy: -28.355438 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -4.473 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: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -43.590945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.590945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.590945 (E_RNA) where: Base-Base interactions energy: -16.527 where: short stacking energy: -16.527 Base-Backbone interact. energy: -0.001 local terms energy: -27.063556 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -42.195695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.195695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.195695 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.032 local terms energy: -27.506821 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -2.952 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: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -78.028756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.028756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.028756 (E_RNA) where: Base-Base interactions energy: -44.527 where: short stacking energy: -17.110 Base-Backbone interact. energy: -0.191 local terms energy: -33.310289 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -5.193 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: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -57.083686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.083686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.083686 (E_RNA) where: Base-Base interactions energy: -22.106 where: short stacking energy: -22.106 Base-Backbone interact. energy: -0.001 local terms energy: -34.976965 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -62.136532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.136532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.136532 (E_RNA) where: Base-Base interactions energy: -29.368 where: short stacking energy: -28.677 Base-Backbone interact. energy: -0.000 local terms energy: -32.768668 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -7.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -52.715582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.715582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.715582 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -18.640 Base-Backbone interact. energy: -0.261 local terms energy: -31.143482 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -49.388442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.388442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.388442 (E_RNA) where: Base-Base interactions energy: -19.407 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.004 local terms energy: -29.977376 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -5.013 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: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -46.137910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.137910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.137910 (E_RNA) where: Base-Base interactions energy: -22.069 where: short stacking energy: -21.455 Base-Backbone interact. energy: -0.000 local terms energy: -24.068069 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -49.272653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.272653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.272653 (E_RNA) where: Base-Base interactions energy: -16.655 where: short stacking energy: -16.655 Base-Backbone interact. energy: -0.000 local terms energy: -32.617714 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -52.470644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.470644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.470644 (E_RNA) where: Base-Base interactions energy: -22.994 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.000 local terms energy: -29.476500 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.828 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: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -45.723739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.723739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.723739 (E_RNA) where: Base-Base interactions energy: -15.575 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.224 local terms energy: -29.924777 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -48.403960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.403960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.403960 (E_RNA) where: Base-Base interactions energy: -22.646 where: short stacking energy: -18.531 Base-Backbone interact. energy: -0.013 local terms energy: -25.745469 where: bonds (distance) C4'-P energy: -3.100 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -77.309303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.309303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.309303 (E_RNA) where: Base-Base interactions energy: -44.926 where: short stacking energy: -19.288 Base-Backbone interact. energy: -0.124 local terms energy: -32.259833 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -6.115 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: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -64.833362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.833362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.833362 (E_RNA) where: Base-Base interactions energy: -31.109 where: short stacking energy: -15.951 Base-Backbone interact. energy: -0.119 local terms energy: -33.605728 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -6.426 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: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -60.386631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.386631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.386631 (E_RNA) where: Base-Base interactions energy: -25.116 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.026 local terms energy: -35.244724 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.379 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: 416 Temperature: 1.050000 Total energy: -56.374452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.374452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.374452 (E_RNA) where: Base-Base interactions energy: -20.243 where: short stacking energy: -20.243 Base-Backbone interact. energy: -0.000 local terms energy: -36.131355 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -5.842 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: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -56.031956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.031956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.031956 (E_RNA) where: Base-Base interactions energy: -30.677 where: short stacking energy: -18.643 Base-Backbone interact. energy: -0.134 local terms energy: -25.221321 where: bonds (distance) C4'-P energy: -6.409 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: 1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -46.806354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.806354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.806354 (E_RNA) where: Base-Base interactions energy: -21.766 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.187 local terms energy: -24.853507 where: bonds (distance) C4'-P energy: -3.515 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -50.926358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.926358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.926358 (E_RNA) where: Base-Base interactions energy: -14.655 where: short stacking energy: -14.655 Base-Backbone interact. energy: -0.149 local terms energy: -36.122330 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -6.593 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: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -43.365170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.365170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.365170 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.118 local terms energy: -28.679333 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.296 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: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -47.527898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.527898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.527898 (E_RNA) where: Base-Base interactions energy: -17.259 where: short stacking energy: -17.259 Base-Backbone interact. energy: -0.000 local terms energy: -30.268356 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -43.997081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.997081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.997081 (E_RNA) where: Base-Base interactions energy: -14.622 where: short stacking energy: -14.622 Base-Backbone interact. energy: -0.002 local terms energy: -29.373741 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -3.708 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: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -78.000019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.000019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.000019 (E_RNA) where: Base-Base interactions energy: -41.937 where: short stacking energy: -16.586 Base-Backbone interact. energy: -0.090 local terms energy: -35.973155 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -6.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -66.817053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.817053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.817053 (E_RNA) where: Base-Base interactions energy: -29.593 where: short stacking energy: -23.696 Base-Backbone interact. energy: 0.118 local terms energy: -37.342581 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -7.600 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: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -51.825722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.825722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.825722 (E_RNA) where: Base-Base interactions energy: -19.803 where: short stacking energy: -19.803 Base-Backbone interact. energy: -0.113 local terms energy: -31.910047 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -61.834286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.834286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.834286 (E_RNA) where: Base-Base interactions energy: -29.808 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.000 local terms energy: -32.025755 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -4.620 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: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -44.275378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.275378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.275378 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -9.759 Base-Backbone interact. energy: -0.019 local terms energy: -30.033801 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -5.606 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: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -44.427742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.427742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.427742 (E_RNA) where: Base-Base interactions energy: -15.504 where: short stacking energy: -14.462 Base-Backbone interact. energy: 0.489 local terms energy: -29.413463 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -4.624 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: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -46.585496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.585496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.585496 (E_RNA) where: Base-Base interactions energy: -17.047 where: short stacking energy: -17.047 Base-Backbone interact. energy: -0.614 local terms energy: -28.923992 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -6.723 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: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -46.493996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.493996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.493996 (E_RNA) where: Base-Base interactions energy: -20.209 where: short stacking energy: -20.209 Base-Backbone interact. energy: -0.000 local terms energy: -26.284757 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -3.837 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: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -43.839035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.839035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.839035 (E_RNA) where: Base-Base interactions energy: -13.217 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.085 local terms energy: -30.536931 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -41.290314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.290314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.290314 (E_RNA) where: Base-Base interactions energy: -18.186 where: short stacking energy: -15.060 Base-Backbone interact. energy: -0.115 local terms energy: -22.989503 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -75.184550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.184550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.184550 (E_RNA) where: Base-Base interactions energy: -38.991 where: short stacking energy: -25.565 Base-Backbone interact. energy: -0.642 local terms energy: -35.551130 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -7.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -63.575595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.575595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.575595 (E_RNA) where: Base-Base interactions energy: -25.812 where: short stacking energy: -25.812 Base-Backbone interact. energy: -0.015 local terms energy: -37.748910 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -61.486245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.486245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.486245 (E_RNA) where: Base-Base interactions energy: -29.133 where: short stacking energy: -17.040 Base-Backbone interact. energy: -0.037 local terms energy: -32.316440 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -64.646961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.646961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.646961 (E_RNA) where: Base-Base interactions energy: -30.177 where: short stacking energy: -29.110 Base-Backbone interact. energy: -0.000 local terms energy: -34.469683 where: bonds (distance) C4'-P energy: -5.356 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -10.069 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: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -50.571488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.571488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.571488 (E_RNA) where: Base-Base interactions energy: -20.206 where: short stacking energy: -18.987 Base-Backbone interact. energy: -0.009 local terms energy: -30.356287 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -51.945058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.945058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.945058 (E_RNA) where: Base-Base interactions energy: -24.083 where: short stacking energy: -24.083 Base-Backbone interact. energy: -0.002 local terms energy: -27.859857 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -4.697 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: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -50.711743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.711743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.711743 (E_RNA) where: Base-Base interactions energy: -19.228 where: short stacking energy: -19.228 Base-Backbone interact. energy: 0.510 local terms energy: -31.992993 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -48.216018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.216018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.216018 (E_RNA) where: Base-Base interactions energy: -22.495 where: short stacking energy: -22.248 Base-Backbone interact. energy: -0.490 local terms energy: -25.231322 where: bonds (distance) C4'-P energy: -3.238 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -42.801334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.801334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.801334 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.090 local terms energy: -28.503287 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -4.555 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -42.287062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.287062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.287062 (E_RNA) where: Base-Base interactions energy: -15.546 where: short stacking energy: -15.546 Base-Backbone interact. energy: -0.118 local terms energy: -26.623273 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -82.880074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.880074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.880074 (E_RNA) where: Base-Base interactions energy: -47.853 where: short stacking energy: -27.295 Base-Backbone interact. energy: -0.000 local terms energy: -35.027023 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -7.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -69.858777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.858777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.858777 (E_RNA) where: Base-Base interactions energy: -40.234 where: short stacking energy: -16.546 Base-Backbone interact. energy: -0.630 local terms energy: -28.995059 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -6.477 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: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -53.923558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.923558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.923558 (E_RNA) where: Base-Base interactions energy: -21.627 where: short stacking energy: -21.627 Base-Backbone interact. energy: -0.050 local terms energy: -32.246315 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -3.597 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: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -59.044425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.044425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.044425 (E_RNA) where: Base-Base interactions energy: -25.928 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.000 local terms energy: -33.116184 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -56.020553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.020553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.020553 (E_RNA) where: Base-Base interactions energy: -27.199 where: short stacking energy: -18.579 Base-Backbone interact. energy: -0.002 local terms energy: -28.819609 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -46.745610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.745610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.745610 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -18.275 Base-Backbone interact. energy: -0.002 local terms energy: -28.468367 where: bonds (distance) C4'-P energy: -4.575 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -42.054897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.054897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.054897 (E_RNA) where: Base-Base interactions energy: -16.495 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.003 local terms energy: -25.556776 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -3.958 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: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -41.733285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.733285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.733285 (E_RNA) where: Base-Base interactions energy: -10.297 where: short stacking energy: -7.449 Base-Backbone interact. energy: -1.254 local terms energy: -30.182422 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -4.047 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: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -43.439617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.439617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.439617 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -15.952 Base-Backbone interact. energy: -0.294 local terms energy: -27.193672 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -3.961 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: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -42.103194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.103194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.103194 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.160 local terms energy: -27.361237 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -5.517 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: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -86.103268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.103268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.103268 (E_RNA) where: Base-Base interactions energy: -49.860 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.001 local terms energy: -36.242530 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -54.558073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.558073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.558073 (E_RNA) where: Base-Base interactions energy: -24.176 where: short stacking energy: -18.409 Base-Backbone interact. energy: -0.120 local terms energy: -30.261561 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -57.677851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.677851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.677851 (E_RNA) where: Base-Base interactions energy: -24.475 where: short stacking energy: -24.475 Base-Backbone interact. energy: -0.181 local terms energy: -33.022270 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -52.879820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.879820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.879820 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.006 local terms energy: -34.268505 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -5.396 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: 5, replica: 3 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -61.423672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.423672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.423672 (E_RNA) where: Base-Base interactions energy: -30.964 where: short stacking energy: -30.627 Base-Backbone interact. energy: -0.000 local terms energy: -30.459324 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -56.923038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.923038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.923038 (E_RNA) where: Base-Base interactions energy: -25.042 where: short stacking energy: -25.342 Base-Backbone interact. energy: -0.099 local terms energy: -31.782095 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -7.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -55.724466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.724466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.724466 (E_RNA) where: Base-Base interactions energy: -30.598 where: short stacking energy: -6.866 Base-Backbone interact. energy: -0.509 local terms energy: -24.618002 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: 1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -44.540602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.540602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.540602 (E_RNA) where: Base-Base interactions energy: -22.465 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.028 local terms energy: -22.047749 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.420 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: 3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -48.272872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.272872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.272872 (E_RNA) where: Base-Base interactions energy: -19.303 where: short stacking energy: -17.753 Base-Backbone interact. energy: -0.000 local terms energy: -28.970001 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.291 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: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -44.742630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.742630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.742630 (E_RNA) where: Base-Base interactions energy: -16.467 where: short stacking energy: -14.679 Base-Backbone interact. energy: -0.090 local terms energy: -28.185529 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -81.196509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.196509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.196509 (E_RNA) where: Base-Base interactions energy: -45.307 where: short stacking energy: -25.570 Base-Backbone interact. energy: -0.002 local terms energy: -35.887556 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.663 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: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -62.378794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.378794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.378794 (E_RNA) where: Base-Base interactions energy: -24.299 where: short stacking energy: -20.464 Base-Backbone interact. energy: -0.096 local terms energy: -37.984176 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -7.244 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: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -49.536879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.536879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.536879 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -18.882 Base-Backbone interact. energy: -0.249 local terms energy: -27.286743 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -4.405 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: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -54.091925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.091925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.091925 (E_RNA) where: Base-Base interactions energy: -21.538 where: short stacking energy: -19.375 Base-Backbone interact. energy: -0.159 local terms energy: -32.394774 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -53.982776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.982776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.982776 (E_RNA) where: Base-Base interactions energy: -24.913 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.024 local terms energy: -29.045543 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -5.549 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: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -52.728333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.728333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.728333 (E_RNA) where: Base-Base interactions energy: -27.541 where: short stacking energy: -19.832 Base-Backbone interact. energy: 0.646 local terms energy: -25.832689 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -49.178087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.178087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.178087 (E_RNA) where: Base-Base interactions energy: -16.577 where: short stacking energy: -16.577 Base-Backbone interact. energy: -0.102 local terms energy: -32.499671 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -45.626052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.626052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.626052 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -10.485 Base-Backbone interact. energy: -0.002 local terms energy: -27.371402 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -0.339 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: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -38.954041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.954041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.954041 (E_RNA) where: Base-Base interactions energy: -11.068 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.359 local terms energy: -27.527237 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: 1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -39.373955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.373955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.373955 (E_RNA) where: Base-Base interactions energy: -12.320 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.113 local terms energy: -26.940784 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -67.653269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.653269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.653269 (E_RNA) where: Base-Base interactions energy: -35.096 where: short stacking energy: -20.551 Base-Backbone interact. energy: -0.058 local terms energy: -32.499058 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -79.654121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.654121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.654121 (E_RNA) where: Base-Base interactions energy: -42.661 where: short stacking energy: -26.254 Base-Backbone interact. energy: -0.001 local terms energy: -36.991858 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -5.665 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: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -49.325093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.325093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.325093 (E_RNA) where: Base-Base interactions energy: -19.838 where: short stacking energy: -19.838 Base-Backbone interact. energy: -0.054 local terms energy: -29.433369 where: bonds (distance) C4'-P energy: -6.919 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -53.714904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.714904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.714904 (E_RNA) where: Base-Base interactions energy: -25.082 where: short stacking energy: -25.082 Base-Backbone interact. energy: -0.000 local terms energy: -28.632615 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -5.437 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: -7.463 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: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -50.299182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.299182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.299182 (E_RNA) where: Base-Base interactions energy: -15.615 where: short stacking energy: -15.615 Base-Backbone interact. energy: -0.042 local terms energy: -34.641602 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.953 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -5.934 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: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -51.674462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.674462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.674462 (E_RNA) where: Base-Base interactions energy: -19.688 where: short stacking energy: -19.688 Base-Backbone interact. energy: -0.000 local terms energy: -31.986479 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -5.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -52.691326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.691326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.691326 (E_RNA) where: Base-Base interactions energy: -21.574 where: short stacking energy: -20.620 Base-Backbone interact. energy: -0.071 local terms energy: -31.046752 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -51.606721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.606721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.606721 (E_RNA) where: Base-Base interactions energy: -31.817 where: short stacking energy: -25.215 Base-Backbone interact. energy: -0.018 local terms energy: -19.771719 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -2.118 flat angles P-C4'-P energy: -4.815 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: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -42.183814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.183814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.183814 (E_RNA) where: Base-Base interactions energy: -17.529 where: short stacking energy: -17.529 Base-Backbone interact. energy: -0.004 local terms energy: -24.650911 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.708 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: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -40.230383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.230383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.230383 (E_RNA) where: Base-Base interactions energy: -22.760 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.033 local terms energy: -17.437657 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -73.462098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.462098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.462098 (E_RNA) where: Base-Base interactions energy: -32.247 where: short stacking energy: -31.320 Base-Backbone interact. energy: -0.000 local terms energy: -41.214663 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -61.238095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.238095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.238095 (E_RNA) where: Base-Base interactions energy: -25.905 where: short stacking energy: -25.905 Base-Backbone interact. energy: -0.000 local terms energy: -35.333442 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -8.241 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: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -72.455365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.455365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.455365 (E_RNA) where: Base-Base interactions energy: -43.532 where: short stacking energy: -16.844 Base-Backbone interact. energy: -0.003 local terms energy: -28.919920 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -58.330133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.330133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.330133 (E_RNA) where: Base-Base interactions energy: -23.659 where: short stacking energy: -23.659 Base-Backbone interact. energy: -0.094 local terms energy: -34.577004 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -7.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -55.990315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.990315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.990315 (E_RNA) where: Base-Base interactions energy: -22.835 where: short stacking energy: -22.835 Base-Backbone interact. energy: -0.133 local terms energy: -33.022750 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -52.602407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.602407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.602407 (E_RNA) where: Base-Base interactions energy: -21.912 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.089 local terms energy: -30.602040 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -5.265 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: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -47.152958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.152958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.152958 (E_RNA) where: Base-Base interactions energy: -18.705 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.061 local terms energy: -28.387526 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.194 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -3.682 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: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -47.143524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.143524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.143524 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.093 local terms energy: -32.082591 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -5.407 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: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -46.076225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.076225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.076225 (E_RNA) where: Base-Base interactions energy: -17.706 where: short stacking energy: -17.568 Base-Backbone interact. energy: -0.001 local terms energy: -28.368855 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.482 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: 10, replica: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -46.647728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.647728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.647728 (E_RNA) where: Base-Base interactions energy: -19.830 where: short stacking energy: -16.658 Base-Backbone interact. energy: -0.158 local terms energy: -26.659702 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -2.198 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: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -68.139211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.139211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.139211 (E_RNA) where: Base-Base interactions energy: -32.227 where: short stacking energy: -32.227 Base-Backbone interact. energy: -0.000 local terms energy: -35.912020 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -7.212 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: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -65.672211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.672211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.672211 (E_RNA) where: Base-Base interactions energy: -27.474 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.003 local terms energy: -38.195604 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -7.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -61.558848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.558848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.558848 (E_RNA) where: Base-Base interactions energy: -26.526 where: short stacking energy: -26.526 Base-Backbone interact. energy: -0.025 local terms energy: -35.007292 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -5.626 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: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -53.295010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.295010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.295010 (E_RNA) where: Base-Base interactions energy: -22.293 where: short stacking energy: -21.466 Base-Backbone interact. energy: -0.000 local terms energy: -31.001483 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -1.464 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: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -56.538782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.538782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.538782 (E_RNA) where: Base-Base interactions energy: -23.005 where: short stacking energy: -23.005 Base-Backbone interact. energy: -0.093 local terms energy: -33.440610 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -62.353115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.353115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.353115 (E_RNA) where: Base-Base interactions energy: -27.412 where: short stacking energy: -27.412 Base-Backbone interact. energy: -0.000 local terms energy: -34.940991 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -58.335040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.335040 (E_RNA) where: Base-Base interactions energy: -25.440 where: short stacking energy: -25.440 Base-Backbone interact. energy: -0.000 local terms energy: -32.894502 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -8.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -41.550781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.550781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.550781 (E_RNA) where: Base-Base interactions energy: -12.924 where: short stacking energy: -12.924 Base-Backbone interact. energy: -0.104 local terms energy: -28.522866 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -42.841016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.841016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.841016 (E_RNA) where: Base-Base interactions energy: -14.071 where: short stacking energy: -14.071 Base-Backbone interact. energy: -0.027 local terms energy: -28.743247 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.955 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: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -41.349277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349277 (E_RNA) where: Base-Base interactions energy: -16.904 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.014 local terms energy: -24.431246 where: bonds (distance) C4'-P energy: -1.995 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -66.679992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.679992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.679992 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -30.395 Base-Backbone interact. energy: -0.000 local terms energy: -36.284909 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -59.240766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.240766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.240766 (E_RNA) where: Base-Base interactions energy: -25.517 where: short stacking energy: -25.517 Base-Backbone interact. energy: -0.001 local terms energy: -33.723368 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -7.162 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: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -54.495266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.495266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.495266 (E_RNA) where: Base-Base interactions energy: -19.472 where: short stacking energy: -19.472 Base-Backbone interact. energy: -0.002 local terms energy: -35.021851 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -6.780 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: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -55.044576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.044576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.044576 (E_RNA) where: Base-Base interactions energy: -23.520 where: short stacking energy: -23.520 Base-Backbone interact. energy: -0.002 local terms energy: -31.523303 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -5.370 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -52.181198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.181198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.181198 (E_RNA) where: Base-Base interactions energy: -18.595 where: short stacking energy: -18.362 Base-Backbone interact. energy: -0.034 local terms energy: -33.551978 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -63.691665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.691665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.691665 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.002 local terms energy: -30.859288 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -50.619229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.619229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.619229 (E_RNA) where: Base-Base interactions energy: -21.906 where: short stacking energy: -20.807 Base-Backbone interact. energy: -0.097 local terms energy: -28.615753 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -5.801 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: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -48.862662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.862662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.862662 (E_RNA) where: Base-Base interactions energy: -20.585 where: short stacking energy: -20.585 Base-Backbone interact. energy: -0.068 local terms energy: -28.210226 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -39.615424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.615424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.615424 (E_RNA) where: Base-Base interactions energy: -15.447 where: short stacking energy: -9.428 Base-Backbone interact. energy: 0.378 local terms energy: -24.546601 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: 1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -41.160679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.160679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.160679 (E_RNA) where: Base-Base interactions energy: -14.215 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.048 local terms energy: -26.898091 where: bonds (distance) C4'-P energy: -3.635 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -8.874 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -69.723708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.723708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.723708 (E_RNA) where: Base-Base interactions energy: -36.602 where: short stacking energy: -26.109 Base-Backbone interact. energy: 0.052 local terms energy: -33.173567 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -68.097954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.097954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.097954 (E_RNA) where: Base-Base interactions energy: -32.121 where: short stacking energy: -32.121 Base-Backbone interact. energy: -0.000 local terms energy: -35.976901 where: bonds (distance) C4'-P energy: -5.105 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -8.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -54.428342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.428342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.428342 (E_RNA) where: Base-Base interactions energy: -23.533 where: short stacking energy: -16.359 Base-Backbone interact. energy: -0.028 local terms energy: -30.867212 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -5.157 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: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -57.369176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.369176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.369176 (E_RNA) where: Base-Base interactions energy: -20.529 where: short stacking energy: -20.529 Base-Backbone interact. energy: -0.040 local terms energy: -36.799909 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -6.156 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: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -55.550318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.550318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.550318 (E_RNA) where: Base-Base interactions energy: -20.532 where: short stacking energy: -19.166 Base-Backbone interact. energy: -0.002 local terms energy: -35.016512 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -49.779620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.779620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.779620 (E_RNA) where: Base-Base interactions energy: -19.929 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.085 local terms energy: -29.765346 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.567 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: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -43.178941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.178941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.178941 (E_RNA) where: Base-Base interactions energy: -14.046 where: short stacking energy: -12.247 Base-Backbone interact. energy: -0.005 local terms energy: -29.127684 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -40.102618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.102618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.102618 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.219 local terms energy: -30.645650 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -52.352128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.352128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.352128 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -23.281 Base-Backbone interact. energy: -0.009 local terms energy: -27.629581 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -53.294199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.294199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.294199 (E_RNA) where: Base-Base interactions energy: -23.279 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.042 local terms energy: -29.972848 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -66.270868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.270868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.270868 (E_RNA) where: Base-Base interactions energy: -40.963 where: short stacking energy: -21.771 Base-Backbone interact. energy: 0.656 local terms energy: -25.963098 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.225 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -6.016 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: 2, replica: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -57.395118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.395118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.395118 (E_RNA) where: Base-Base interactions energy: -25.081 where: short stacking energy: -20.805 Base-Backbone interact. energy: -0.782 local terms energy: -31.531572 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -7.388 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: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -58.785453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.785453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.785453 (E_RNA) where: Base-Base interactions energy: -20.298 where: short stacking energy: -20.298 Base-Backbone interact. energy: -0.079 local terms energy: -38.408250 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -6.728 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: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -57.985914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.985914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.985914 (E_RNA) where: Base-Base interactions energy: -32.927 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.097 local terms energy: -24.962201 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.477 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: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -50.234244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.234244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.234244 (E_RNA) where: Base-Base interactions energy: -18.987 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.009 local terms energy: -31.238419 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -51.122656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.122656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.122656 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -16.309 Base-Backbone interact. energy: -0.909 local terms energy: -28.808353 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -2.817 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -52.707250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.707250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.707250 (E_RNA) where: Base-Base interactions energy: -20.920 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.022 local terms energy: -31.764542 where: bonds (distance) C4'-P energy: -4.368 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -55.159848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.159848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.159848 (E_RNA) where: Base-Base interactions energy: -25.295 where: short stacking energy: -25.295 Base-Backbone interact. energy: 0.172 local terms energy: -30.037227 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -39.641578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.641578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.641578 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.095 local terms energy: -27.706334 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -3.570 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: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -41.446917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.446917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.446917 (E_RNA) where: Base-Base interactions energy: -19.511 where: short stacking energy: -15.136 Base-Backbone interact. energy: -0.073 local terms energy: -21.862740 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -1.972 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: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -64.305163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.305163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.305163 (E_RNA) where: Base-Base interactions energy: -28.502 where: short stacking energy: -28.502 Base-Backbone interact. energy: -0.010 local terms energy: -35.792822 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -66.762264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.762264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.762264 (E_RNA) where: Base-Base interactions energy: -32.693 where: short stacking energy: -30.277 Base-Backbone interact. energy: -0.143 local terms energy: -33.926967 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.246 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: 428 Temperature: 1.000000 Total energy: -57.536889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.536889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.536889 (E_RNA) where: Base-Base interactions energy: -22.731 where: short stacking energy: -22.588 Base-Backbone interact. energy: -0.050 local terms energy: -34.756489 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -6.013 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: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -56.176801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.176801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.176801 (E_RNA) where: Base-Base interactions energy: -25.544 where: short stacking energy: -24.348 Base-Backbone interact. energy: 0.767 local terms energy: -31.399886 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -5.291 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: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -64.391938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.391938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.391938 (E_RNA) where: Base-Base interactions energy: -33.818 where: short stacking energy: -15.835 Base-Backbone interact. energy: -0.070 local terms energy: -30.503781 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -47.076434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.076434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.076434 (E_RNA) where: Base-Base interactions energy: -20.850 where: short stacking energy: -20.850 Base-Backbone interact. energy: -0.178 local terms energy: -26.048190 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.264 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: 7, replica: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -48.210657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.210657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.210657 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.166 local terms energy: -30.153875 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -5.957 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: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -48.258293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.258293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.258293 (E_RNA) where: Base-Base interactions energy: -19.106 where: short stacking energy: -11.433 Base-Backbone interact. energy: -1.877 local terms energy: -27.274748 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -5.642 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -6.476 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: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -47.362560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.362560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.362560 (E_RNA) where: Base-Base interactions energy: -18.360 where: short stacking energy: -18.360 Base-Backbone interact. energy: -0.016 local terms energy: -28.987146 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -4.973 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: 10, replica: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -49.353841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.353841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.353841 (E_RNA) where: Base-Base interactions energy: -23.334 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.007 local terms energy: -26.012608 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.099 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -4.738 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: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -59.712978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.712978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.712978 (E_RNA) where: Base-Base interactions energy: -26.935 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.000 local terms energy: -32.777457 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -54.634574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.634574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.634574 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.001 local terms energy: -32.773333 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -56.501786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.501786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.501786 (E_RNA) where: Base-Base interactions energy: -23.276 where: short stacking energy: -22.889 Base-Backbone interact. energy: -0.078 local terms energy: -33.148363 where: bonds (distance) C4'-P energy: -5.324 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -64.312104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.312104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.312104 (E_RNA) where: Base-Base interactions energy: -33.444 where: short stacking energy: -27.117 Base-Backbone interact. energy: -0.005 local terms energy: -30.863802 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -5.794 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -5.412 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: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -45.597376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.597376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.597376 (E_RNA) where: Base-Base interactions energy: -18.480 where: short stacking energy: -3.988 Base-Backbone interact. energy: -0.013 local terms energy: -27.104983 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -52.476039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.476039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.476039 (E_RNA) where: Base-Base interactions energy: -19.621 where: short stacking energy: -19.621 Base-Backbone interact. energy: -0.000 local terms energy: -32.854465 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.332 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -45.086168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.086168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.086168 (E_RNA) where: Base-Base interactions energy: -19.168 where: short stacking energy: -18.998 Base-Backbone interact. energy: -0.096 local terms energy: -25.821847 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -45.319776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.319776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.319776 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -17.271 Base-Backbone interact. energy: -0.055 local terms energy: -28.194017 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -49.941415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.941415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.941415 (E_RNA) where: Base-Base interactions energy: -22.211 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.000 local terms energy: -27.730175 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -41.277906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.277906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.277906 (E_RNA) where: Base-Base interactions energy: -19.203 where: short stacking energy: -19.203 Base-Backbone interact. energy: -0.148 local terms energy: -21.926350 where: bonds (distance) C4'-P energy: -3.664 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -5.477 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: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -68.660269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.660269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.660269 (E_RNA) where: Base-Base interactions energy: -31.591 where: short stacking energy: -31.591 Base-Backbone interact. energy: -0.003 local terms energy: -37.066252 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -65.722390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.722390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.722390 (E_RNA) where: Base-Base interactions energy: -27.725 where: short stacking energy: -27.725 Base-Backbone interact. energy: -0.000 local terms energy: -37.997339 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -55.899850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.899850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.899850 (E_RNA) where: Base-Base interactions energy: -23.169 where: short stacking energy: -23.169 Base-Backbone interact. energy: -0.003 local terms energy: -32.727770 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -56.036694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.036694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.036694 (E_RNA) where: Base-Base interactions energy: -25.014 where: short stacking energy: -25.014 Base-Backbone interact. energy: -0.000 local terms energy: -31.022469 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -55.359953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.359953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.359953 (E_RNA) where: Base-Base interactions energy: -26.015 where: short stacking energy: -26.015 Base-Backbone interact. energy: -0.014 local terms energy: -29.331134 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -52.054812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.054812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.054812 (E_RNA) where: Base-Base interactions energy: -23.042 where: short stacking energy: -23.042 Base-Backbone interact. energy: -0.025 local terms energy: -28.987785 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.098 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.994 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: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -43.789779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.789779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.789779 (E_RNA) where: Base-Base interactions energy: -17.878 where: short stacking energy: -17.878 Base-Backbone interact. energy: -0.014 local terms energy: -25.898253 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -4.619 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: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -47.763714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.763714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.763714 (E_RNA) where: Base-Base interactions energy: -18.293 where: short stacking energy: -18.293 Base-Backbone interact. energy: -0.002 local terms energy: -29.469295 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -3.692 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: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -44.246323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.246323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.246323 (E_RNA) where: Base-Base interactions energy: -23.061 where: short stacking energy: -15.882 Base-Backbone interact. energy: -0.054 local terms energy: -21.131545 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -1.892 flat angles P-C4'-P energy: -4.370 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: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -39.901367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.901367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.901367 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.128 local terms energy: -26.599721 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -6.105 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: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -75.945737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.945737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.945737 (E_RNA) where: Base-Base interactions energy: -33.734 where: short stacking energy: -33.734 Base-Backbone interact. energy: -0.000 local terms energy: -42.211638 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -11.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -75.990138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.990138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.990138 (E_RNA) where: Base-Base interactions energy: -39.650 where: short stacking energy: -25.399 Base-Backbone interact. energy: -0.000 local terms energy: -36.339414 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -67.185762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.185762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.185762 (E_RNA) where: Base-Base interactions energy: -28.984 where: short stacking energy: -17.794 Base-Backbone interact. energy: -1.223 local terms energy: -36.978911 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -58.400931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.400931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.400931 (E_RNA) where: Base-Base interactions energy: -25.787 where: short stacking energy: -25.726 Base-Backbone interact. energy: -0.024 local terms energy: -32.590418 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -47.114401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.114401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.114401 (E_RNA) where: Base-Base interactions energy: -16.149 where: short stacking energy: -16.149 Base-Backbone interact. energy: -0.037 local terms energy: -30.928412 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -47.933903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.933903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.933903 (E_RNA) where: Base-Base interactions energy: -16.599 where: short stacking energy: -13.225 Base-Backbone interact. energy: -0.036 local terms energy: -31.299078 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -46.868302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.868302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.868302 (E_RNA) where: Base-Base interactions energy: -13.767 where: short stacking energy: -13.767 Base-Backbone interact. energy: -0.000 local terms energy: -33.101405 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -2.111 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: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -44.915937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.915937 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.191 local terms energy: -32.024692 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -4.556 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: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -42.182180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.182180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.182180 (E_RNA) where: Base-Base interactions energy: -14.495 where: short stacking energy: -9.787 Base-Backbone interact. energy: -0.205 local terms energy: -27.482212 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: 0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -41.384249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.384249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.384249 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -12.489 Base-Backbone interact. energy: 0.446 local terms energy: -29.341274 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -5.175 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: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -73.209138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.209138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.209138 (E_RNA) where: Base-Base interactions energy: -33.786 where: short stacking energy: -33.786 Base-Backbone interact. energy: -0.000 local terms energy: -39.423279 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -11.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -62.262704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.262704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.262704 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -24.084 Base-Backbone interact. energy: -0.101 local terms energy: -35.124941 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -65.962394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.962394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.962394 (E_RNA) where: Base-Base interactions energy: -33.598 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.001 local terms energy: -32.363506 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -2.789 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -60.790773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.790773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.790773 (E_RNA) where: Base-Base interactions energy: -28.303 where: short stacking energy: -22.384 Base-Backbone interact. energy: -0.002 local terms energy: -32.485960 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.952 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: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -53.736714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.736714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.736714 (E_RNA) where: Base-Base interactions energy: -17.168 where: short stacking energy: -17.168 Base-Backbone interact. energy: -0.000 local terms energy: -36.568480 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -51.823339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.823339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.823339 (E_RNA) where: Base-Base interactions energy: -20.474 where: short stacking energy: -20.474 Base-Backbone interact. energy: -0.034 local terms energy: -31.314787 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -4.795 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: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -50.596884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.596884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.596884 (E_RNA) where: Base-Base interactions energy: -22.774 where: short stacking energy: -22.774 Base-Backbone interact. energy: -0.172 local terms energy: -27.650190 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -4.069 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -42.364641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.364641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.364641 (E_RNA) where: Base-Base interactions energy: -15.651 where: short stacking energy: -15.179 Base-Backbone interact. energy: -0.055 local terms energy: -26.658785 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -45.517488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.517488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.517488 (E_RNA) where: Base-Base interactions energy: -15.132 where: short stacking energy: -15.132 Base-Backbone interact. energy: -0.030 local terms energy: -30.355464 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -1.900 flat angles P-C4'-P energy: -5.139 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: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -41.605857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.605857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.605857 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.022 local terms energy: -28.294441 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -62.320989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.320989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.320989 (E_RNA) where: Base-Base interactions energy: -25.033 where: short stacking energy: -25.033 Base-Backbone interact. energy: -0.000 local terms energy: -37.288204 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -61.628615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.628615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.628615 (E_RNA) where: Base-Base interactions energy: -26.589 where: short stacking energy: -26.589 Base-Backbone interact. energy: -0.060 local terms energy: -34.980029 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -60.616033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.616033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.616033 (E_RNA) where: Base-Base interactions energy: -27.186 where: short stacking energy: -24.332 Base-Backbone interact. energy: -0.000 local terms energy: -33.430212 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -49.166948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.166948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.166948 (E_RNA) where: Base-Base interactions energy: -20.067 where: short stacking energy: -19.416 Base-Backbone interact. energy: -0.217 local terms energy: -28.883417 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -6.015 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: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -60.075434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.075434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.075434 (E_RNA) where: Base-Base interactions energy: -33.876 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.001 local terms energy: -26.198817 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -1.410 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: 433 Temperature: 1.150000 Total energy: -52.445442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.445442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.445442 (E_RNA) where: Base-Base interactions energy: -22.129 where: short stacking energy: -22.129 Base-Backbone interact. energy: -0.008 local terms energy: -30.309168 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -47.792922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.792922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.792922 (E_RNA) where: Base-Base interactions energy: -21.118 where: short stacking energy: -15.569 Base-Backbone interact. energy: 0.211 local terms energy: -26.885584 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -9.025 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -46.533303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.533303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.533303 (E_RNA) where: Base-Base interactions energy: -19.325 where: short stacking energy: -12.839 Base-Backbone interact. energy: -0.246 local terms energy: -26.961356 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -0.434 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: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -40.163725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.163725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.163725 (E_RNA) where: Base-Base interactions energy: -15.821 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.044 local terms energy: -24.298899 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -3.875 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: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -42.660924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.660924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.660924 (E_RNA) where: Base-Base interactions energy: -17.026 where: short stacking energy: -17.026 Base-Backbone interact. energy: -0.005 local terms energy: -25.630191 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: 2.426 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: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -66.773021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.773021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.773021 (E_RNA) where: Base-Base interactions energy: -36.595 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.043 local terms energy: -30.134188 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.851 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: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -58.898545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.898545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.898545 (E_RNA) where: Base-Base interactions energy: -25.174 where: short stacking energy: -25.174 Base-Backbone interact. energy: -0.001 local terms energy: -33.723792 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -58.746167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.746167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.746167 (E_RNA) where: Base-Base interactions energy: -26.372 where: short stacking energy: -25.882 Base-Backbone interact. energy: -0.000 local terms energy: -32.374270 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -50.374946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.374946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.374946 (E_RNA) where: Base-Base interactions energy: -16.005 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.076 local terms energy: -34.293943 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -49.278664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.278664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.278664 (E_RNA) where: Base-Base interactions energy: -16.303 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.048 local terms energy: -32.928116 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -56.906355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.906355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.906355 (E_RNA) where: Base-Base interactions energy: -23.344 where: short stacking energy: -23.344 Base-Backbone interact. energy: -0.004 local terms energy: -33.559216 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.346 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -54.295984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.295984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.295984 (E_RNA) where: Base-Base interactions energy: -21.929 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.020 local terms energy: -32.347046 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.047 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: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -39.792832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.792832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.792832 (E_RNA) where: Base-Base interactions energy: -15.586 where: short stacking energy: -15.586 Base-Backbone interact. energy: -0.247 local terms energy: -23.960188 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.082 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -41.143955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.143955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.143955 (E_RNA) where: Base-Base interactions energy: -17.273 where: short stacking energy: -17.273 Base-Backbone interact. energy: -0.008 local terms energy: -23.862867 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -1.132 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -40.847815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.847815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.847815 (E_RNA) where: Base-Base interactions energy: -14.723 where: short stacking energy: -14.723 Base-Backbone interact. energy: -0.008 local terms energy: -26.117042 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -65.058454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.058454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.058454 (E_RNA) where: Base-Base interactions energy: -29.463 where: short stacking energy: -29.463 Base-Backbone interact. energy: -0.049 local terms energy: -35.546574 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -62.982367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.982367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.982367 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.000 local terms energy: -37.135137 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.078 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -6.842 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -56.333883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.333883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.333883 (E_RNA) where: Base-Base interactions energy: -26.989 where: short stacking energy: -19.729 Base-Backbone interact. energy: -0.000 local terms energy: -29.345276 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -4.165 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: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -74.570675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.570675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.570675 (E_RNA) where: Base-Base interactions energy: -40.802 where: short stacking energy: -20.718 Base-Backbone interact. energy: 0.402 local terms energy: -34.170552 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -58.085661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.085661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.085661 (E_RNA) where: Base-Base interactions energy: -24.102 where: short stacking energy: -24.102 Base-Backbone interact. energy: -0.002 local terms energy: -33.981489 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -7.569 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: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -50.913399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913399 (E_RNA) where: Base-Base interactions energy: -22.079 where: short stacking energy: -14.920 Base-Backbone interact. energy: -0.002 local terms energy: -28.832605 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.756 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -46.206933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.206933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.206933 (E_RNA) where: Base-Base interactions energy: -18.603 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.044 local terms energy: -27.560069 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -6.226 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: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -50.551296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.551296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.551296 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.095 local terms energy: -29.010192 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -40.019060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.019060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.019060 (E_RNA) where: Base-Base interactions energy: -9.059 where: short stacking energy: -9.059 Base-Backbone interact. energy: -0.055 local terms energy: -30.904452 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -45.238358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.238358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.238358 (E_RNA) where: Base-Base interactions energy: -16.514 where: short stacking energy: -16.514 Base-Backbone interact. energy: -0.111 local terms energy: -28.613205 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.155 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.070 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: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -68.527520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.527520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.527520 (E_RNA) where: Base-Base interactions energy: -32.423 where: short stacking energy: -32.158 Base-Backbone interact. energy: -0.015 local terms energy: -36.089605 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -66.899333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.899333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.899333 (E_RNA) where: Base-Base interactions energy: -36.281 where: short stacking energy: -22.426 Base-Backbone interact. energy: -0.930 local terms energy: -29.688690 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -1.624 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -69.618395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.618395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.618395 (E_RNA) where: Base-Base interactions energy: -38.585 where: short stacking energy: -22.150 Base-Backbone interact. energy: -0.001 local terms energy: -31.032879 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -4.025 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: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -54.320776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.320776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.320776 (E_RNA) where: Base-Base interactions energy: -21.579 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.090 local terms energy: -32.651177 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -50.895354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.895354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.895354 (E_RNA) where: Base-Base interactions energy: -20.974 where: short stacking energy: -20.974 Base-Backbone interact. energy: -0.177 local terms energy: -29.743874 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -7.111 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: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -46.200235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.200235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.200235 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -18.368 Base-Backbone interact. energy: 0.577 local terms energy: -28.409728 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -4.842 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: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -51.083570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.083570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.083570 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -34.942581 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -49.414265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.414265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.414265 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -16.465 Base-Backbone interact. energy: 0.298 local terms energy: -33.247148 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -40.730038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.730038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.730038 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.145 local terms energy: -29.257182 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: 1.827 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: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -45.903578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.903578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.903578 (E_RNA) where: Base-Base interactions energy: -12.989 where: short stacking energy: -12.989 Base-Backbone interact. energy: -0.034 local terms energy: -32.881248 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -6.200 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: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -70.006567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.006567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.006567 (E_RNA) where: Base-Base interactions energy: -31.550 where: short stacking energy: -31.550 Base-Backbone interact. energy: -0.000 local terms energy: -38.456006 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -69.692330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.692330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.692330 (E_RNA) where: Base-Base interactions energy: -29.661 where: short stacking energy: -29.661 Base-Backbone interact. energy: -0.000 local terms energy: -40.031235 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -9.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -70.212881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.212881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.212881 (E_RNA) where: Base-Base interactions energy: -36.194 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.063 local terms energy: -33.956653 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -57.262869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.262869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.262869 (E_RNA) where: Base-Base interactions energy: -20.469 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.039 local terms energy: -36.755160 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -6.259 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: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -58.871396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.871396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.871396 (E_RNA) where: Base-Base interactions energy: -23.121 where: short stacking energy: -23.245 Base-Backbone interact. energy: -0.003 local terms energy: -35.748189 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -7.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -48.073829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.073829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.073829 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.001 local terms energy: -30.880131 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -42.249408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.249408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.249408 (E_RNA) where: Base-Base interactions energy: -17.077 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.071 local terms energy: -25.101260 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -5.977 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: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -41.732840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.732840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.732840 (E_RNA) where: Base-Base interactions energy: -13.749 where: short stacking energy: -13.749 Base-Backbone interact. energy: 1.011 local terms energy: -28.995276 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -2.062 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: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -47.581647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.581647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.581647 (E_RNA) where: Base-Base interactions energy: -18.918 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.026 local terms energy: -28.637828 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -5.593 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: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -45.601432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.601432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.601432 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.094 local terms energy: -29.440863 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -59.632664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.632664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.632664 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -25.254 Base-Backbone interact. energy: -0.031 local terms energy: -34.348562 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -5.221 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: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -59.515834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.515834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.515834 (E_RNA) where: Base-Base interactions energy: -26.414 where: short stacking energy: -26.414 Base-Backbone interact. energy: -0.086 local terms energy: -33.015613 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -7.607 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: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -62.072196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.072196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.072196 (E_RNA) where: Base-Base interactions energy: -27.300 where: short stacking energy: -27.300 Base-Backbone interact. energy: -0.000 local terms energy: -34.772014 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -8.953 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -64.630095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.630095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.630095 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.102 local terms energy: -34.883219 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -48.457996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.457996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.457996 (E_RNA) where: Base-Base interactions energy: -19.994 where: short stacking energy: -18.645 Base-Backbone interact. energy: -0.216 local terms energy: -28.248200 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -49.453525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.453525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.453525 (E_RNA) where: Base-Base interactions energy: -18.375 where: short stacking energy: -18.375 Base-Backbone interact. energy: -0.002 local terms energy: -31.076893 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -4.437 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: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -50.386050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.386050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.386050 (E_RNA) where: Base-Base interactions energy: -20.375 where: short stacking energy: -20.248 Base-Backbone interact. energy: -0.168 local terms energy: -29.842758 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -47.323499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323499 (E_RNA) where: Base-Base interactions energy: -16.562 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.064 local terms energy: -30.696777 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -6.385 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: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -44.135569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.135569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.135569 (E_RNA) where: Base-Base interactions energy: -16.859 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.101 local terms energy: -27.175519 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -49.027476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.027476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.027476 (E_RNA) where: Base-Base interactions energy: -19.783 where: short stacking energy: -19.107 Base-Backbone interact. energy: -0.002 local terms energy: -29.242425 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.677 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: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -67.257376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.257376 (E_RNA) where: Base-Base interactions energy: -28.617 where: short stacking energy: -28.617 Base-Backbone interact. energy: -0.001 local terms energy: -38.639025 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -8.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -61.339246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.339246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.339246 (E_RNA) where: Base-Base interactions energy: -24.135 where: short stacking energy: -24.135 Base-Backbone interact. energy: -0.055 local terms energy: -37.149417 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -5.888 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: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -65.555509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.555509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.555509 (E_RNA) where: Base-Base interactions energy: -30.808 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.159 local terms energy: -34.587662 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -48.416421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.416421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.416421 (E_RNA) where: Base-Base interactions energy: -16.966 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.031 local terms energy: -31.419503 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -63.707030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.707030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.707030 (E_RNA) where: Base-Base interactions energy: -25.816 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.014 local terms energy: -37.876763 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -5.526 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: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -47.984590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.984590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.984590 (E_RNA) where: Base-Base interactions energy: -15.178 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.593 local terms energy: -32.213308 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.714 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: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -52.872727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.872727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.872727 (E_RNA) where: Base-Base interactions energy: -19.898 where: short stacking energy: -10.416 Base-Backbone interact. energy: -0.007 local terms energy: -32.967336 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -48.085163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.085163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.085163 (E_RNA) where: Base-Base interactions energy: -20.321 where: short stacking energy: -13.488 Base-Backbone interact. energy: -0.183 local terms energy: -27.580825 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -5.958 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: 0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -41.380186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.380186 (E_RNA) where: Base-Base interactions energy: -16.076 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.041 local terms energy: -25.263602 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: 1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -39.634420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.634420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.634420 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.096 local terms energy: -27.599402 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -4.491 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: 440 Temperature: 0.900000 Total energy: -64.365594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.365594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.365594 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -29.104 Base-Backbone interact. energy: -0.000 local terms energy: -35.261292 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -59.980813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.980813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.980813 (E_RNA) where: Base-Base interactions energy: -22.834 where: short stacking energy: -22.834 Base-Backbone interact. energy: -0.001 local terms energy: -37.145934 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -57.194159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.194159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.194159 (E_RNA) where: Base-Base interactions energy: -26.492 where: short stacking energy: -26.492 Base-Backbone interact. energy: 0.116 local terms energy: -30.818610 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -60.355623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.355623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.355623 (E_RNA) where: Base-Base interactions energy: -26.294 where: short stacking energy: -26.294 Base-Backbone interact. energy: -0.004 local terms energy: -34.057514 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.893 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.487 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: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -49.690837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.690837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.690837 (E_RNA) where: Base-Base interactions energy: -18.740 where: short stacking energy: -18.740 Base-Backbone interact. energy: -0.088 local terms energy: -30.863378 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -53.995338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.995338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.995338 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.598 local terms energy: -31.499240 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.958 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: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -45.892997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.892997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.892997 (E_RNA) where: Base-Base interactions energy: -15.264 where: short stacking energy: -15.264 Base-Backbone interact. energy: -0.000 local terms energy: -30.628956 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -6.372 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: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -50.096445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.096445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.096445 (E_RNA) where: Base-Base interactions energy: -19.013 where: short stacking energy: -19.013 Base-Backbone interact. energy: -0.000 local terms energy: -31.082927 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.979 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: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -41.809363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.809363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.809363 (E_RNA) where: Base-Base interactions energy: -16.401 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.011 local terms energy: -25.397263 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.524 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: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -45.251976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.251976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.251976 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.003 local terms energy: -29.584046 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -64.664808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.664808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.664808 (E_RNA) where: Base-Base interactions energy: -32.274 where: short stacking energy: -25.599 Base-Backbone interact. energy: -0.117 local terms energy: -32.274013 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -69.419950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.419950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.419950 (E_RNA) where: Base-Base interactions energy: -41.657 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.044 local terms energy: -27.719254 where: bonds (distance) C4'-P energy: -3.031 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -56.204032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.204032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.204032 (E_RNA) where: Base-Base interactions energy: -29.446 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.013 local terms energy: -26.745095 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -6.303 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: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -56.622074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.622074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.622074 (E_RNA) where: Base-Base interactions energy: -24.601 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.001 local terms energy: -32.020331 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -59.401566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.401566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.401566 (E_RNA) where: Base-Base interactions energy: -27.810 where: short stacking energy: -21.988 Base-Backbone interact. energy: -0.086 local terms energy: -31.505065 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -3.849 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: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -53.060900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.060900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.060900 (E_RNA) where: Base-Base interactions energy: -22.868 where: short stacking energy: -22.868 Base-Backbone interact. energy: -0.000 local terms energy: -30.192711 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -4.601 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -0.627 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -43.295093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.295093 (E_RNA) where: Base-Base interactions energy: -14.747 where: short stacking energy: -14.747 Base-Backbone interact. energy: -0.269 local terms energy: -28.278745 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -6.485 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: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -40.973810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.973810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.973810 (E_RNA) where: Base-Base interactions energy: -14.276 where: short stacking energy: -14.276 Base-Backbone interact. energy: -0.001 local terms energy: -26.696693 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -37.590263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.590263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.590263 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: 1.168 local terms energy: -26.934702 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -5.984 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: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -43.688049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.688049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.688049 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: 0.947 local terms energy: -28.730790 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.187 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: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -75.499898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.499898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.499898 (E_RNA) where: Base-Base interactions energy: -39.887 where: short stacking energy: -22.355 Base-Backbone interact. energy: 0.068 local terms energy: -35.680931 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -60.837727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.837727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.837727 (E_RNA) where: Base-Base interactions energy: -28.864 where: short stacking energy: -28.864 Base-Backbone interact. energy: -0.004 local terms energy: -31.969114 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -7.066 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: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -76.261885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.261885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.261885 (E_RNA) where: Base-Base interactions energy: -40.086 where: short stacking energy: -27.716 Base-Backbone interact. energy: -0.536 local terms energy: -35.639130 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -8.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -50.728739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.728739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.728739 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -20.357 Base-Backbone interact. energy: -0.002 local terms energy: -30.369828 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -7.232 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -5.976 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: 442 Temperature: 1.100000 Total energy: -50.531514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.531514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.531514 (E_RNA) where: Base-Base interactions energy: -17.245 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.004 local terms energy: -33.282332 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -3.285 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: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -47.376895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376895 (E_RNA) where: Base-Base interactions energy: -16.903 where: short stacking energy: -16.903 Base-Backbone interact. energy: -0.001 local terms energy: -30.472407 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.316 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: 442 Temperature: 1.200000 Total energy: -43.302460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.302460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.302460 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.152 local terms energy: -27.906623 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -3.242 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: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -49.834782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.834782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.834782 (E_RNA) where: Base-Base interactions energy: -20.050 where: short stacking energy: -20.050 Base-Backbone interact. energy: -0.001 local terms energy: -29.784180 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -49.811583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.811583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.811583 (E_RNA) where: Base-Base interactions energy: -14.642 where: short stacking energy: -14.642 Base-Backbone interact. energy: -0.176 local terms energy: -34.993924 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -43.716712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.716712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.716712 (E_RNA) where: Base-Base interactions energy: -14.196 where: short stacking energy: -14.196 Base-Backbone interact. energy: -0.022 local terms energy: -29.499046 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -69.122373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.122373 (E_RNA) where: Base-Base interactions energy: -31.528 where: short stacking energy: -31.265 Base-Backbone interact. energy: -0.013 local terms energy: -37.581993 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -8.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -52.141747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.141747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.141747 (E_RNA) where: Base-Base interactions energy: -25.987 where: short stacking energy: -12.871 Base-Backbone interact. energy: -0.291 local terms energy: -25.864042 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -6.800 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -6.547 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: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -67.921590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.921590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.921590 (E_RNA) where: Base-Base interactions energy: -32.434 where: short stacking energy: -32.434 Base-Backbone interact. energy: -0.000 local terms energy: -35.487989 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -63.414144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.414144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.414144 (E_RNA) where: Base-Base interactions energy: -29.975 where: short stacking energy: -28.530 Base-Backbone interact. energy: -0.000 local terms energy: -33.438622 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -0.837 tors. eta vs tors. theta energy: -9.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -60.473137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.473137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.473137 (E_RNA) where: Base-Base interactions energy: -24.499 where: short stacking energy: -24.499 Base-Backbone interact. energy: -0.000 local terms energy: -35.974497 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -45.436436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.436436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.436436 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -18.092 Base-Backbone interact. energy: -0.001 local terms energy: -27.344049 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -2.655 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: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -47.553101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.553101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.553101 (E_RNA) where: Base-Base interactions energy: -17.001 where: short stacking energy: -17.001 Base-Backbone interact. energy: -0.120 local terms energy: -30.431972 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.776 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: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -48.733196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.733196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.733196 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -22.154 Base-Backbone interact. energy: -0.157 local terms energy: -26.422599 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -1.947 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: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -38.824384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.824384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.824384 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.907 local terms energy: -27.903212 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -3.631 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -40.450717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.450717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.450717 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.086 local terms energy: -27.320701 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -5.261 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: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -64.884977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.884977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.884977 (E_RNA) where: Base-Base interactions energy: -31.247 where: short stacking energy: -31.247 Base-Backbone interact. energy: -0.003 local terms energy: -33.634745 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -64.215305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.215305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.215305 (E_RNA) where: Base-Base interactions energy: -35.600 where: short stacking energy: -21.795 Base-Backbone interact. energy: -0.219 local terms energy: -28.396475 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -69.328710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.328710 (E_RNA) where: Base-Base interactions energy: -31.157 where: short stacking energy: -30.650 Base-Backbone interact. energy: -0.000 local terms energy: -38.171279 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -10.131 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: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -51.754412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.754412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.754412 (E_RNA) where: Base-Base interactions energy: -18.024 where: short stacking energy: -18.024 Base-Backbone interact. energy: -0.001 local terms energy: -33.729728 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -5.029 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: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -48.281912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.281912 (E_RNA) where: Base-Base interactions energy: -17.256 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.002 local terms energy: -31.024162 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.787 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: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -48.558815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.558815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.558815 (E_RNA) where: Base-Base interactions energy: -17.578 where: short stacking energy: -17.578 Base-Backbone interact. energy: -0.003 local terms energy: -30.977863 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -6.014 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: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -50.942614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.942614 (E_RNA) where: Base-Base interactions energy: -18.878 where: short stacking energy: -14.795 Base-Backbone interact. energy: -0.006 local terms energy: -32.058849 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -6.375 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: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -44.876140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.876140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.876140 (E_RNA) where: Base-Base interactions energy: -13.672 where: short stacking energy: -13.672 Base-Backbone interact. energy: -0.000 local terms energy: -31.204362 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -45.070656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.070656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.070656 (E_RNA) where: Base-Base interactions energy: -18.821 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.009 local terms energy: -26.240922 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -6.845 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: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -41.320503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.320503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.320503 (E_RNA) where: Base-Base interactions energy: -16.985 where: short stacking energy: -16.985 Base-Backbone interact. energy: -0.078 local terms energy: -24.258262 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -0.150 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: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -75.096005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.096005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.096005 (E_RNA) where: Base-Base interactions energy: -36.846 where: short stacking energy: -24.428 Base-Backbone interact. energy: -0.002 local terms energy: -38.248595 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -85.040587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.040587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.040587 (E_RNA) where: Base-Base interactions energy: -51.356 where: short stacking energy: -31.668 Base-Backbone interact. energy: -0.001 local terms energy: -33.683526 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -56.469666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.469666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.469666 (E_RNA) where: Base-Base interactions energy: -23.271 where: short stacking energy: -23.271 Base-Backbone interact. energy: -0.040 local terms energy: -33.158651 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -4.265 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: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -45.476175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.476175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.476175 (E_RNA) where: Base-Base interactions energy: -19.771 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.194 local terms energy: -25.511265 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -58.203155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.203155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.203155 (E_RNA) where: Base-Base interactions energy: -21.782 where: short stacking energy: -21.782 Base-Backbone interact. energy: -0.000 local terms energy: -36.421537 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -6.398 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: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -62.898398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.898398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.898398 (E_RNA) where: Base-Base interactions energy: -34.000 where: short stacking energy: -21.300 Base-Backbone interact. energy: -0.004 local terms energy: -28.893856 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -1.981 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: 7, replica: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -59.791569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.791569 (E_RNA) where: Base-Base interactions energy: -28.680 where: short stacking energy: -19.352 Base-Backbone interact. energy: -0.003 local terms energy: -31.108451 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -7.287 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: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -42.855691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.855691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.855691 (E_RNA) where: Base-Base interactions energy: -19.451 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.056 local terms energy: -23.348672 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -44.140955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.140955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.140955 (E_RNA) where: Base-Base interactions energy: -17.028 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.024 local terms energy: -27.088478 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.643 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: 10, replica: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -44.230806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.230806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.230806 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.152 local terms energy: -28.892057 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -80.172801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.172801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.172801 (E_RNA) where: Base-Base interactions energy: -47.759 where: short stacking energy: -23.970 Base-Backbone interact. energy: -0.004 local terms energy: -32.409070 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -65.706594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.706594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.706594 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -29.104 Base-Backbone interact. energy: -0.009 local terms energy: -36.593933 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -51.577675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.577675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.577675 (E_RNA) where: Base-Base interactions energy: -25.604 where: short stacking energy: -20.156 Base-Backbone interact. energy: 0.294 local terms energy: -26.267735 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -56.446848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.446848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.446848 (E_RNA) where: Base-Base interactions energy: -24.590 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.002 local terms energy: -31.855038 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -4.293 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: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -55.237944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.237944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.237944 (E_RNA) where: Base-Base interactions energy: -22.730 where: short stacking energy: -22.730 Base-Backbone interact. energy: -0.114 local terms energy: -32.394763 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -47.242818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.242818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.242818 (E_RNA) where: Base-Base interactions energy: -15.761 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.025 local terms energy: -31.456680 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -6.165 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: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -51.115008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.115008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.115008 (E_RNA) where: Base-Base interactions energy: -19.264 where: short stacking energy: -19.264 Base-Backbone interact. energy: -0.000 local terms energy: -31.850755 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -8.766 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -1.093 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: 446 Temperature: 1.250000 Total energy: -45.700074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.700074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.700074 (E_RNA) where: Base-Base interactions energy: -18.013 where: short stacking energy: -18.013 Base-Backbone interact. energy: -0.001 local terms energy: -27.685914 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -5.437 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: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -44.683581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.683581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.683581 (E_RNA) where: Base-Base interactions energy: -15.738 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.006 local terms energy: -28.939726 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.201 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: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -44.900392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.900392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.900392 (E_RNA) where: Base-Base interactions energy: -20.281 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.060 local terms energy: -24.558704 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: 0.574 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: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -85.662407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.662407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.662407 (E_RNA) where: Base-Base interactions energy: -47.735 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.072 local terms energy: -37.855288 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -8.130 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: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -71.767318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.767318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.767318 (E_RNA) where: Base-Base interactions energy: -37.367 where: short stacking energy: -31.799 Base-Backbone interact. energy: -0.006 local terms energy: -34.394110 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -63.737264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.737264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.737264 (E_RNA) where: Base-Base interactions energy: -25.648 where: short stacking energy: -25.458 Base-Backbone interact. energy: -0.000 local terms energy: -38.089606 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -51.769546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.769546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.769546 (E_RNA) where: Base-Base interactions energy: -23.534 where: short stacking energy: -23.534 Base-Backbone interact. energy: -0.022 local terms energy: -28.213086 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.890 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: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -54.024014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.024014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.024014 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -19.241 Base-Backbone interact. energy: -0.011 local terms energy: -30.655919 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -4.498 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -41.886210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.886210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.886210 (E_RNA) where: Base-Base interactions energy: -13.756 where: short stacking energy: -13.756 Base-Backbone interact. energy: -0.150 local terms energy: -27.979312 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -3.061 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: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -49.375969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.375969 (E_RNA) where: Base-Base interactions energy: -24.222 where: short stacking energy: -19.956 Base-Backbone interact. energy: -0.002 local terms energy: -25.151320 where: bonds (distance) C4'-P energy: -1.660 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -3.492 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: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -45.893194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.893194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.893194 (E_RNA) where: Base-Base interactions energy: -18.331 where: short stacking energy: -17.409 Base-Backbone interact. energy: 0.079 local terms energy: -27.641472 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -5.417 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: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -48.330018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.330018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.330018 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.000 local terms energy: -33.645409 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.647 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: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -40.357826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.357826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.357826 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.042 local terms energy: -25.071758 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -72.839046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.839046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.839046 (E_RNA) where: Base-Base interactions energy: -34.169 where: short stacking energy: -18.753 Base-Backbone interact. energy: -0.059 local terms energy: -38.610922 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -7.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -79.514303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.514303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.514303 (E_RNA) where: Base-Base interactions energy: -44.455 where: short stacking energy: -26.642 Base-Backbone interact. energy: -0.018 local terms energy: -35.041442 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -47.937268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.937268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.937268 (E_RNA) where: Base-Base interactions energy: -17.300 where: short stacking energy: -17.300 Base-Backbone interact. energy: -0.133 local terms energy: -30.503868 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -6.601 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -60.980656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.980656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.980656 (E_RNA) where: Base-Base interactions energy: -26.773 where: short stacking energy: -26.773 Base-Backbone interact. energy: -0.000 local terms energy: -34.208000 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -50.201786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.201786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.201786 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.156 local terms energy: -30.347895 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -6.420 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -49.824282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.824282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.824282 (E_RNA) where: Base-Base interactions energy: -18.511 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.297 local terms energy: -31.016104 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -6.060 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -5.912 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: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -49.309990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.309990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.309990 (E_RNA) where: Base-Base interactions energy: -18.295 where: short stacking energy: -18.295 Base-Backbone interact. energy: -0.085 local terms energy: -30.929907 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.535 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: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -43.440007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.440007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.440007 (E_RNA) where: Base-Base interactions energy: -21.464 where: short stacking energy: -13.817 Base-Backbone interact. energy: -0.087 local terms energy: -21.888185 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -1.259 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: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -49.095431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.095431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.095431 (E_RNA) where: Base-Base interactions energy: -21.206 where: short stacking energy: -20.109 Base-Backbone interact. energy: -0.005 local terms energy: -27.884082 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -41.525082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.525082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.525082 (E_RNA) where: Base-Base interactions energy: -13.621 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.004 local terms energy: -27.900004 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: 0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -69.411767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.411767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.411767 (E_RNA) where: Base-Base interactions energy: -32.769 where: short stacking energy: -32.769 Base-Backbone interact. energy: -0.000 local terms energy: -36.643144 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -9.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -63.078418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.078418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.078418 (E_RNA) where: Base-Base interactions energy: -30.604 where: short stacking energy: -27.039 Base-Backbone interact. energy: -0.014 local terms energy: -32.460737 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -76.678082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.678082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.678082 (E_RNA) where: Base-Base interactions energy: -45.842 where: short stacking energy: -24.432 Base-Backbone interact. energy: 0.210 local terms energy: -31.046065 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -6.433 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: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -56.995159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.995159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.995159 (E_RNA) where: Base-Base interactions energy: -25.319 where: short stacking energy: -24.472 Base-Backbone interact. energy: -0.153 local terms energy: -31.522962 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -56.838980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.838980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.838980 (E_RNA) where: Base-Base interactions energy: -23.973 where: short stacking energy: -23.812 Base-Backbone interact. energy: -0.000 local terms energy: -32.866349 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -49.697537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.697537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.697537 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -18.055 Base-Backbone interact. energy: -0.028 local terms energy: -31.614412 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -51.782413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.782413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.782413 (E_RNA) where: Base-Base interactions energy: -25.939 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.001 local terms energy: -25.842680 where: bonds (distance) C4'-P energy: -6.898 bonds (distance) P-C4' energy: -5.393 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -0.754 tors. eta vs tors. theta energy: -7.488 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: 449 Temperature: 1.250000 Total energy: -56.612884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.612884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.612884 (E_RNA) where: Base-Base interactions energy: -30.660 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.003 local terms energy: -25.949976 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -3.193 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: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -42.853332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.853332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.853332 (E_RNA) where: Base-Base interactions energy: -18.743 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.164 local terms energy: -23.946243 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -1.245 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -44.639470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.639470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.639470 (E_RNA) where: Base-Base interactions energy: -12.064 where: short stacking energy: -10.647 Base-Backbone interact. energy: -0.002 local terms energy: -32.572979 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -80.783528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.783528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.783528 (E_RNA) where: Base-Base interactions energy: -45.131 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.000 local terms energy: -35.651880 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.200 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: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -64.537555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.537555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.537555 (E_RNA) where: Base-Base interactions energy: -26.951 where: short stacking energy: -26.951 Base-Backbone interact. energy: -0.001 local terms energy: -37.585884 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.365 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -61.871234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.871234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.871234 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.010 local terms energy: -34.060371 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -7.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -65.468142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.468142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.468142 (E_RNA) where: Base-Base interactions energy: -35.143 where: short stacking energy: -21.036 Base-Backbone interact. energy: -0.001 local terms energy: -30.323586 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -48.796147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.796147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.796147 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.109 local terms energy: -23.823886 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -4.041 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: 6, replica: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -49.502865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.502865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.502865 (E_RNA) where: Base-Base interactions energy: -16.568 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.000 local terms energy: -32.934429 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -42.202880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.202880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.202880 (E_RNA) where: Base-Base interactions energy: -21.023 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.054 local terms energy: -21.125593 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -3.203 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -44.393542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.393542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.393542 (E_RNA) where: Base-Base interactions energy: -16.173 where: short stacking energy: -16.173 Base-Backbone interact. energy: -0.000 local terms energy: -28.219760 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -47.483558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.483558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.483558 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -6.556 Base-Backbone interact. energy: -0.018 local terms energy: -30.551981 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -0.109 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: 450 Temperature: 1.350000 Total energy: -39.859219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.859219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.859219 (E_RNA) where: Base-Base interactions energy: -11.872 where: short stacking energy: -10.077 Base-Backbone interact. energy: -0.002 local terms energy: -27.985432 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -2.691 flat angles P-C4'-P energy: -2.420 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: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -76.632980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.632980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.632980 (E_RNA) where: Base-Base interactions energy: -43.393 where: short stacking energy: -29.308 Base-Backbone interact. energy: -0.000 local terms energy: -33.239629 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.821 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: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -56.746952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.746952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.746952 (E_RNA) where: Base-Base interactions energy: -26.739 where: short stacking energy: -26.739 Base-Backbone interact. energy: -0.001 local terms energy: -30.006776 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -69.582940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.582940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.582940 (E_RNA) where: Base-Base interactions energy: -35.705 where: short stacking energy: -23.040 Base-Backbone interact. energy: -0.001 local terms energy: -33.876898 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -7.469 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: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -61.064039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.064039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.064039 (E_RNA) where: Base-Base interactions energy: -28.244 where: short stacking energy: -28.244 Base-Backbone interact. energy: -0.008 local terms energy: -32.812326 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -50.020465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020465 (E_RNA) where: Base-Base interactions energy: -20.905 where: short stacking energy: -20.905 Base-Backbone interact. energy: -0.094 local terms energy: -29.021619 where: bonds (distance) C4'-P energy: -1.444 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -5.986 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: 6, replica: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -46.700058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.700058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.700058 (E_RNA) where: Base-Base interactions energy: -19.949 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.122 local terms energy: -26.628765 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -45.310336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310336 (E_RNA) where: Base-Base interactions energy: -16.114 where: short stacking energy: -16.114 Base-Backbone interact. energy: -0.113 local terms energy: -29.082943 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -6.017 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: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -46.066420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.066420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.066420 (E_RNA) where: Base-Base interactions energy: -23.255 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.001 local terms energy: -22.810380 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -1.936 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: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -45.281784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.281784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.281784 (E_RNA) where: Base-Base interactions energy: -14.770 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.004 local terms energy: -30.507680 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -1.341 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -44.617125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.617125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.617125 (E_RNA) where: Base-Base interactions energy: -14.702 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.001 local terms energy: -29.914072 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -5.305 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: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -70.395353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.395353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.395353 (E_RNA) where: Base-Base interactions energy: -36.132 where: short stacking energy: -28.283 Base-Backbone interact. energy: -0.008 local terms energy: -34.255187 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -7.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -58.885077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.885077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.885077 (E_RNA) where: Base-Base interactions energy: -23.472 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.008 local terms energy: -35.404995 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -63.024637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.024637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.024637 (E_RNA) where: Base-Base interactions energy: -26.406 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.262 local terms energy: -36.356631 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.880 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: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -64.573768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.573768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.573768 (E_RNA) where: Base-Base interactions energy: -29.634 where: short stacking energy: -28.995 Base-Backbone interact. energy: -0.000 local terms energy: -34.939723 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -7.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -54.435391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.435391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.435391 (E_RNA) where: Base-Base interactions energy: -26.142 where: short stacking energy: -17.399 Base-Backbone interact. energy: -0.008 local terms energy: -28.285766 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.797 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: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -46.922789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.922789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.922789 (E_RNA) where: Base-Base interactions energy: -13.383 where: short stacking energy: -13.383 Base-Backbone interact. energy: -0.193 local terms energy: -33.346879 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -5.129 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: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -41.996919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.996919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.996919 (E_RNA) where: Base-Base interactions energy: -18.262 where: short stacking energy: -18.262 Base-Backbone interact. energy: -0.062 local terms energy: -23.673699 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -57.135725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.135725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.135725 (E_RNA) where: Base-Base interactions energy: -20.733 where: short stacking energy: -18.832 Base-Backbone interact. energy: -0.000 local terms energy: -36.403040 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -9.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -44.679359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.679359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.679359 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.003 local terms energy: -34.435585 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -4.962 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: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -38.634621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.634621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.634621 (E_RNA) where: Base-Base interactions energy: -15.359 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.029 local terms energy: -23.246139 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -5.939 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: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -73.060524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.060524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.060524 (E_RNA) where: Base-Base interactions energy: -35.924 where: short stacking energy: -20.887 Base-Backbone interact. energy: -0.263 local terms energy: -36.873295 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -59.208854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.208854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.208854 (E_RNA) where: Base-Base interactions energy: -29.069 where: short stacking energy: -27.269 Base-Backbone interact. energy: -0.018 local terms energy: -30.121866 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -55.514690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.514690 (E_RNA) where: Base-Base interactions energy: -24.538 where: short stacking energy: -24.538 Base-Backbone interact. energy: -0.003 local terms energy: -30.974061 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -9.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -52.904384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.904384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.904384 (E_RNA) where: Base-Base interactions energy: -23.780 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.096 local terms energy: -29.028176 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -3.274 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: 5, replica: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -50.705587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.705587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.705587 (E_RNA) where: Base-Base interactions energy: -19.859 where: short stacking energy: -19.690 Base-Backbone interact. energy: -0.017 local terms energy: -30.828719 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -5.936 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: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -54.707433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.707433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.707433 (E_RNA) where: Base-Base interactions energy: -27.795 where: short stacking energy: -17.978 Base-Backbone interact. energy: -0.035 local terms energy: -26.877919 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -7.034 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -45.260352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.260352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.260352 (E_RNA) where: Base-Base interactions energy: -16.010 where: short stacking energy: -16.010 Base-Backbone interact. energy: -0.134 local terms energy: -29.115968 where: bonds (distance) C4'-P energy: -6.076 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -2.802 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: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -47.647960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.647960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.647960 (E_RNA) where: Base-Base interactions energy: -17.270 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.003 local terms energy: -30.374178 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.757 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: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -44.012933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.012933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.012933 (E_RNA) where: Base-Base interactions energy: -18.373 where: short stacking energy: -14.132 Base-Backbone interact. energy: -0.055 local terms energy: -25.584768 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.046 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: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -43.005977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.005977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.005977 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -15.594 Base-Backbone interact. energy: -0.006 local terms energy: -27.355037 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -74.871903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.871903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.871903 (E_RNA) where: Base-Base interactions energy: -40.332 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.000 local terms energy: -34.539872 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.744 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: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -69.247871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.247871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.247871 (E_RNA) where: Base-Base interactions energy: -30.185 where: short stacking energy: -30.185 Base-Backbone interact. energy: -0.000 local terms energy: -39.062930 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -8.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -55.671908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.671908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.671908 (E_RNA) where: Base-Base interactions energy: -19.514 where: short stacking energy: -18.434 Base-Backbone interact. energy: -0.000 local terms energy: -36.157519 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -8.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -50.721795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.721795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.721795 (E_RNA) where: Base-Base interactions energy: -20.624 where: short stacking energy: -19.850 Base-Backbone interact. energy: -0.153 local terms energy: -29.945243 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -50.921649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.921649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.921649 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.020 local terms energy: -33.701760 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -52.248075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.248075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.248075 (E_RNA) where: Base-Base interactions energy: -18.468 where: short stacking energy: -18.468 Base-Backbone interact. energy: -0.001 local terms energy: -33.779736 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -57.539919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.539919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.539919 (E_RNA) where: Base-Base interactions energy: -29.669 where: short stacking energy: -19.137 Base-Backbone interact. energy: -0.005 local terms energy: -27.865470 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -5.259 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: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -43.291129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.291129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.291129 (E_RNA) where: Base-Base interactions energy: -13.454 where: short stacking energy: -13.454 Base-Backbone interact. energy: -0.053 local terms energy: -29.784072 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -6.454 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: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -49.189421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.189421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.189421 (E_RNA) where: Base-Base interactions energy: -26.266 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.194 local terms energy: -22.729454 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -4.635 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -37.949704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949704 (E_RNA) where: Base-Base interactions energy: -9.331 where: short stacking energy: -5.994 Base-Backbone interact. energy: -0.125 local terms energy: -28.493181 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.318 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -87.323364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.323364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.323364 (E_RNA) where: Base-Base interactions energy: -52.143 where: short stacking energy: -26.243 Base-Backbone interact. energy: -0.005 local terms energy: -35.175253 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -66.974212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.974212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.974212 (E_RNA) where: Base-Base interactions energy: -27.993 where: short stacking energy: -27.993 Base-Backbone interact. energy: -0.000 local terms energy: -38.981152 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -9.325 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: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -67.444592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.444592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.444592 (E_RNA) where: Base-Base interactions energy: -32.872 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.529 local terms energy: -34.043276 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -54.192357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.192357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.192357 (E_RNA) where: Base-Base interactions energy: -20.050 where: short stacking energy: -20.050 Base-Backbone interact. energy: -0.000 local terms energy: -34.142585 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -59.757266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.757266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.757266 (E_RNA) where: Base-Base interactions energy: -27.728 where: short stacking energy: -27.728 Base-Backbone interact. energy: -0.000 local terms energy: -32.029209 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -2.041 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -54.633946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.633946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.633946 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -15.734 Base-Backbone interact. energy: -0.932 local terms energy: -30.769565 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -45.918932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.918932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.918932 (E_RNA) where: Base-Base interactions energy: -16.379 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.012 local terms energy: -29.528303 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -46.217167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.217167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.217167 (E_RNA) where: Base-Base interactions energy: -17.022 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.006 local terms energy: -29.189792 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -6.166 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: 9, replica: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -46.400679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.400679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.400679 (E_RNA) where: Base-Base interactions energy: -17.501 where: short stacking energy: -17.501 Base-Backbone interact. energy: -0.100 local terms energy: -28.799966 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -5.035 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: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -41.824032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.824032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.824032 (E_RNA) where: Base-Base interactions energy: -13.773 where: short stacking energy: -13.773 Base-Backbone interact. energy: -0.070 local terms energy: -27.980925 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -63.519582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.519582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.519582 (E_RNA) where: Base-Base interactions energy: -29.223 where: short stacking energy: -29.223 Base-Backbone interact. energy: -0.002 local terms energy: -34.294553 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -6.494 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: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -71.710422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.710422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.710422 (E_RNA) where: Base-Base interactions energy: -40.792 where: short stacking energy: -24.525 Base-Backbone interact. energy: 0.310 local terms energy: -31.228300 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -3.888 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: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -52.717554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.717554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.717554 (E_RNA) where: Base-Base interactions energy: -19.272 where: short stacking energy: -19.272 Base-Backbone interact. energy: -0.000 local terms energy: -33.445634 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -61.028935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.028935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.028935 (E_RNA) where: Base-Base interactions energy: -30.458 where: short stacking energy: -24.653 Base-Backbone interact. energy: -0.002 local terms energy: -30.568892 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -7.143 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: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -58.281495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.281495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.281495 (E_RNA) where: Base-Base interactions energy: -26.558 where: short stacking energy: -25.517 Base-Backbone interact. energy: -0.020 local terms energy: -31.703394 where: bonds (distance) C4'-P energy: -7.869 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.731 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: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -50.046575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.046575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.046575 (E_RNA) where: Base-Base interactions energy: -21.043 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.057 local terms energy: -28.946120 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -6.685 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: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -55.557336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.557336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.557336 (E_RNA) where: Base-Base interactions energy: -23.585 where: short stacking energy: -23.585 Base-Backbone interact. energy: -0.001 local terms energy: -31.971293 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.122 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: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -44.488060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.488060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.488060 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.002 local terms energy: -27.286593 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.928 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: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -55.392190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.392190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.392190 (E_RNA) where: Base-Base interactions energy: -27.311 where: short stacking energy: -24.185 Base-Backbone interact. energy: -0.001 local terms energy: -28.080080 where: bonds (distance) C4'-P energy: -2.384 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -47.201525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.201525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.201525 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.000 local terms energy: -33.057936 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -4.429 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: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -78.479370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.479370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.479370 (E_RNA) where: Base-Base interactions energy: -39.940 where: short stacking energy: -23.005 Base-Backbone interact. energy: -2.036 local terms energy: -36.503128 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -65.425344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.425344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.425344 (E_RNA) where: Base-Base interactions energy: -31.308 where: short stacking energy: -31.308 Base-Backbone interact. energy: -0.000 local terms energy: -34.117135 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -7.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -57.619310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.619310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.619310 (E_RNA) where: Base-Base interactions energy: -23.683 where: short stacking energy: -19.585 Base-Backbone interact. energy: -0.000 local terms energy: -33.936644 where: bonds (distance) C4'-P energy: -7.451 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -7.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -65.069367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.069367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.069367 (E_RNA) where: Base-Base interactions energy: -26.779 where: short stacking energy: -26.779 Base-Backbone interact. energy: -0.000 local terms energy: -38.290416 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -8.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -54.985212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.985212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.985212 (E_RNA) where: Base-Base interactions energy: -20.249 where: short stacking energy: -20.249 Base-Backbone interact. energy: -0.002 local terms energy: -34.734482 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -53.206855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.206855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.206855 (E_RNA) where: Base-Base interactions energy: -17.466 where: short stacking energy: -17.466 Base-Backbone interact. energy: -0.002 local terms energy: -35.739371 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -50.646729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.646729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.646729 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.642 Base-Backbone interact. energy: -0.020 local terms energy: -31.984056 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -50.874016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.874016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.874016 (E_RNA) where: Base-Base interactions energy: -19.080 where: short stacking energy: -19.080 Base-Backbone interact. energy: -0.003 local terms energy: -31.791025 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.456 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: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -43.768849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.768849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.768849 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.054 local terms energy: -29.235520 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -44.272682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.272682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.272682 (E_RNA) where: Base-Base interactions energy: -16.292 where: short stacking energy: -14.711 Base-Backbone interact. energy: -0.163 local terms energy: -27.817201 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -71.308571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.308571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.308571 (E_RNA) where: Base-Base interactions energy: -34.885 where: short stacking energy: -34.885 Base-Backbone interact. energy: -0.000 local terms energy: -36.423486 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -10.894 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: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -71.450035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.450035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.450035 (E_RNA) where: Base-Base interactions energy: -37.362 where: short stacking energy: -18.847 Base-Backbone interact. energy: -0.473 local terms energy: -33.615681 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -61.928802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.928802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.928802 (E_RNA) where: Base-Base interactions energy: -23.203 where: short stacking energy: -23.203 Base-Backbone interact. energy: -0.000 local terms energy: -38.725690 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -10.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -52.433049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.433049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.433049 (E_RNA) where: Base-Base interactions energy: -25.258 where: short stacking energy: -20.804 Base-Backbone interact. energy: -0.029 local terms energy: -27.145407 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -63.540379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.540379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.540379 (E_RNA) where: Base-Base interactions energy: -25.957 where: short stacking energy: -25.957 Base-Backbone interact. energy: -0.021 local terms energy: -37.562836 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -6.187 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -47.507508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.507508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.507508 (E_RNA) where: Base-Base interactions energy: -14.300 where: short stacking energy: -10.427 Base-Backbone interact. energy: -0.019 local terms energy: -33.188300 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.314 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -6.732 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: 7, replica: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -44.402325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.402325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.402325 (E_RNA) where: Base-Base interactions energy: -23.321 where: short stacking energy: -15.437 Base-Backbone interact. energy: -0.021 local terms energy: -21.060748 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -2.246 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -44.143153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.143153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.143153 (E_RNA) where: Base-Base interactions energy: -16.469 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.818 local terms energy: -26.856976 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: 0.232 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -42.811351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.811351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.811351 (E_RNA) where: Base-Base interactions energy: -17.942 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.102 local terms energy: -24.767533 where: bonds (distance) C4'-P energy: -2.657 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -43.725692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.725692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.725692 (E_RNA) where: Base-Base interactions energy: -19.677 where: short stacking energy: -19.677 Base-Backbone interact. energy: -0.095 local terms energy: -23.953475 where: bonds (distance) C4'-P energy: -3.111 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -70.167780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.167780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.167780 (E_RNA) where: Base-Base interactions energy: -33.079 where: short stacking energy: -33.079 Base-Backbone interact. energy: -0.049 local terms energy: -37.039765 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.251 flat angles P-C4'-P energy: -4.460 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: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -57.220545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.220545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.220545 (E_RNA) where: Base-Base interactions energy: -20.057 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.307 local terms energy: -36.856073 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: -5.754 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: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -59.924502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.924502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.924502 (E_RNA) where: Base-Base interactions energy: -26.007 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.005 local terms energy: -33.912455 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -67.038907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.038907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.038907 (E_RNA) where: Base-Base interactions energy: -32.494 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.004 local terms energy: -34.540853 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -4.769 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -47.214065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.214065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.214065 (E_RNA) where: Base-Base interactions energy: -16.673 where: short stacking energy: -16.673 Base-Backbone interact. energy: -0.079 local terms energy: -30.461443 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -4.782 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: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -53.585734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.585734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.585734 (E_RNA) where: Base-Base interactions energy: -20.067 where: short stacking energy: -20.067 Base-Backbone interact. energy: -0.001 local terms energy: -33.517809 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -4.226 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: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -42.710185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710185 (E_RNA) where: Base-Base interactions energy: -17.848 where: short stacking energy: -17.848 Base-Backbone interact. energy: -0.022 local terms energy: -24.840336 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: 0.553 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: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -48.776335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.776335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.776335 (E_RNA) where: Base-Base interactions energy: -19.138 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.000 local terms energy: -29.637992 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -44.954839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.954839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.954839 (E_RNA) where: Base-Base interactions energy: -16.081 where: short stacking energy: -16.081 Base-Backbone interact. energy: -0.053 local terms energy: -28.820481 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.110 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: 10, replica: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -42.228875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.228875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.228875 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.001 local terms energy: -24.724630 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.149 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.506 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: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -66.359971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.359971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.359971 (E_RNA) where: Base-Base interactions energy: -32.126 where: short stacking energy: -30.408 Base-Backbone interact. energy: -2.936 local terms energy: -31.297795 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -62.305883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.305883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.305883 (E_RNA) where: Base-Base interactions energy: -26.050 where: short stacking energy: -25.119 Base-Backbone interact. energy: 0.053 local terms energy: -36.308719 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -7.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -56.615785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.615785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.615785 (E_RNA) where: Base-Base interactions energy: -22.128 where: short stacking energy: -22.128 Base-Backbone interact. energy: -0.001 local terms energy: -34.487166 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -65.560707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.560707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.560707 (E_RNA) where: Base-Base interactions energy: -33.948 where: short stacking energy: -25.304 Base-Backbone interact. energy: -0.037 local terms energy: -31.575702 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -6.891 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: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -55.922396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.922396 (E_RNA) where: Base-Base interactions energy: -26.384 where: short stacking energy: -18.622 Base-Backbone interact. energy: 1.094 local terms energy: -30.633238 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -47.402612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.402612 (E_RNA) where: Base-Base interactions energy: -18.316 where: short stacking energy: -17.072 Base-Backbone interact. energy: -0.102 local terms energy: -28.983951 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -7.050 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: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -46.274912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.274912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.274912 (E_RNA) where: Base-Base interactions energy: -17.872 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.132 local terms energy: -28.270782 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -49.050384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.050384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.050384 (E_RNA) where: Base-Base interactions energy: -20.546 where: short stacking energy: -13.280 Base-Backbone interact. energy: -0.005 local terms energy: -28.498676 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -3.394 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -40.611329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611329 (E_RNA) where: Base-Base interactions energy: -13.311 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.084 local terms energy: -27.216066 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -5.602 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: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -42.773189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.773189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.773189 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.007 local terms energy: -26.100947 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -63.805579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.805579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.805579 (E_RNA) where: Base-Base interactions energy: -26.293 where: short stacking energy: -26.293 Base-Backbone interact. energy: -0.067 local terms energy: -37.445449 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -52.766887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.766887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.766887 (E_RNA) where: Base-Base interactions energy: -22.744 where: short stacking energy: -22.744 Base-Backbone interact. energy: -0.074 local terms energy: -29.949058 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -4.511 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: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -54.214520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.214520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.214520 (E_RNA) where: Base-Base interactions energy: -20.848 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.239 local terms energy: -33.127584 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -55.464598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.464598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.464598 (E_RNA) where: Base-Base interactions energy: -24.624 where: short stacking energy: -24.624 Base-Backbone interact. energy: -0.000 local terms energy: -30.840240 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -57.760675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.760675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.760675 (E_RNA) where: Base-Base interactions energy: -27.038 where: short stacking energy: -26.690 Base-Backbone interact. energy: -0.000 local terms energy: -30.722375 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -6.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -56.929986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.929986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.929986 (E_RNA) where: Base-Base interactions energy: -26.356 where: short stacking energy: -26.356 Base-Backbone interact. energy: -0.000 local terms energy: -30.574160 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -49.005287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.005287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.005287 (E_RNA) where: Base-Base interactions energy: -21.085 where: short stacking energy: -21.085 Base-Backbone interact. energy: 0.552 local terms energy: -28.472377 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -4.516 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.457 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: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -42.392383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.392383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.392383 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.112 local terms energy: -25.366285 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -49.283911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283911 (E_RNA) where: Base-Base interactions energy: -20.532 where: short stacking energy: -20.378 Base-Backbone interact. energy: -0.000 local terms energy: -28.751840 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -2.841 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: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -47.674777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.674777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.674777 (E_RNA) where: Base-Base interactions energy: -16.997 where: short stacking energy: -16.997 Base-Backbone interact. energy: -0.001 local terms energy: -30.676509 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -5.682 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: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -73.943473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.943473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.943473 (E_RNA) where: Base-Base interactions energy: -38.279 where: short stacking energy: -29.428 Base-Backbone interact. energy: -0.178 local terms energy: -35.486839 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -64.691376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.691376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.691376 (E_RNA) where: Base-Base interactions energy: -33.480 where: short stacking energy: -21.374 Base-Backbone interact. energy: -0.315 local terms energy: -30.896761 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -61.294846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.294846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.294846 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -26.799 Base-Backbone interact. energy: -0.002 local terms energy: -34.493730 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -61.339585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.339585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.339585 (E_RNA) where: Base-Base interactions energy: -25.789 where: short stacking energy: -21.783 Base-Backbone interact. energy: -0.000 local terms energy: -35.550242 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -6.787 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: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -50.174983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.174983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.174983 (E_RNA) where: Base-Base interactions energy: -19.393 where: short stacking energy: -19.393 Base-Backbone interact. energy: -0.068 local terms energy: -30.714011 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -2.326 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: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -56.614263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.614263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.614263 (E_RNA) where: Base-Base interactions energy: -27.655 where: short stacking energy: -27.655 Base-Backbone interact. energy: -0.000 local terms energy: -28.958748 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -4.403 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -53.037820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.037820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.037820 (E_RNA) where: Base-Base interactions energy: -29.890 where: short stacking energy: -22.706 Base-Backbone interact. energy: -0.006 local terms energy: -23.142183 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -2.954 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: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -44.188022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.188022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.188022 (E_RNA) where: Base-Base interactions energy: -19.130 where: short stacking energy: -19.130 Base-Backbone interact. energy: -0.154 local terms energy: -24.904291 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -39.422762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.422762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.422762 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.130 Base-Backbone interact. energy: 0.986 local terms energy: -31.446403 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -9.235 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -40.637335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637335 (E_RNA) where: Base-Base interactions energy: -18.685 where: short stacking energy: -11.447 Base-Backbone interact. energy: -0.049 local terms energy: -21.902426 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -62.165031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.165031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.165031 (E_RNA) where: Base-Base interactions energy: -26.276 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.008 local terms energy: -35.880865 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -59.116838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.116838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.116838 (E_RNA) where: Base-Base interactions energy: -26.308 where: short stacking energy: -26.308 Base-Backbone interact. energy: -0.173 local terms energy: -32.635997 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -3.742 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -57.021875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.021875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.021875 (E_RNA) where: Base-Base interactions energy: -25.394 where: short stacking energy: -20.803 Base-Backbone interact. energy: -0.062 local terms energy: -31.565787 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -5.307 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: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -55.675305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.675305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.675305 (E_RNA) where: Base-Base interactions energy: -22.348 where: short stacking energy: -22.348 Base-Backbone interact. energy: -0.000 local terms energy: -33.327675 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -55.486161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.486161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.486161 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.089 local terms energy: -33.945237 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -47.996789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.996789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.996789 (E_RNA) where: Base-Base interactions energy: -18.840 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.068 local terms energy: -29.089110 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -48.853548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.853548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.853548 (E_RNA) where: Base-Base interactions energy: -16.142 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.002 local terms energy: -32.709818 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -3.418 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: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -48.740912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.740912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.740912 (E_RNA) where: Base-Base interactions energy: -19.150 where: short stacking energy: -19.150 Base-Backbone interact. energy: -0.001 local terms energy: -29.589729 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.370 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: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -41.411986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.411986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.411986 (E_RNA) where: Base-Base interactions energy: -15.838 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.081 local terms energy: -25.493572 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -40.531570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.531570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.531570 (E_RNA) where: Base-Base interactions energy: -15.671 where: short stacking energy: -15.671 Base-Backbone interact. energy: -0.021 local terms energy: -24.838927 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -59.703220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.703220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.703220 (E_RNA) where: Base-Base interactions energy: -26.312 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.000 local terms energy: -33.391639 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -55.143586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.143586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.143586 (E_RNA) where: Base-Base interactions energy: -19.143 where: short stacking energy: -19.143 Base-Backbone interact. energy: -0.000 local terms energy: -36.000776 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -6.651 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: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -62.242543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.242543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.242543 (E_RNA) where: Base-Base interactions energy: -26.762 where: short stacking energy: -26.762 Base-Backbone interact. energy: -0.017 local terms energy: -35.463639 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -7.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -59.477903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.477903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.477903 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -29.683 Base-Backbone interact. energy: -0.061 local terms energy: -29.734147 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -3.308 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -4.648 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: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -51.315689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.315689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.315689 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.006 local terms energy: -29.449884 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -6.872 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: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -57.527993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.527993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.527993 (E_RNA) where: Base-Base interactions energy: -23.436 where: short stacking energy: -23.436 Base-Backbone interact. energy: -0.000 local terms energy: -34.091727 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.916 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: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -42.738677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.738677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.738677 (E_RNA) where: Base-Base interactions energy: -13.470 where: short stacking energy: -13.470 Base-Backbone interact. energy: -0.001 local terms energy: -29.267583 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -47.897558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.897558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.897558 (E_RNA) where: Base-Base interactions energy: -17.906 where: short stacking energy: -17.651 Base-Backbone interact. energy: -0.483 local terms energy: -29.509067 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -42.695444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.695444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.695444 (E_RNA) where: Base-Base interactions energy: -13.560 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.025 local terms energy: -29.110720 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -39.536122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.536122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.536122 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.119 local terms energy: -29.434557 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -60.182801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.182801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.182801 (E_RNA) where: Base-Base interactions energy: -26.168 where: short stacking energy: -26.168 Base-Backbone interact. energy: -0.017 local terms energy: -33.997175 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.822 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: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -75.853773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.853773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.853773 (E_RNA) where: Base-Base interactions energy: -46.321 where: short stacking energy: -27.371 Base-Backbone interact. energy: -0.000 local terms energy: -29.532014 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.922 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: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -59.515232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.515232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.515232 (E_RNA) where: Base-Base interactions energy: -28.272 where: short stacking energy: -28.272 Base-Backbone interact. energy: -0.006 local terms energy: -31.237361 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -63.934566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.934566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.934566 (E_RNA) where: Base-Base interactions energy: -23.643 where: short stacking energy: -23.643 Base-Backbone interact. energy: -0.001 local terms energy: -40.290470 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -49.092515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.092515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.092515 (E_RNA) where: Base-Base interactions energy: -21.369 where: short stacking energy: -21.369 Base-Backbone interact. energy: -0.153 local terms energy: -27.570715 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.391 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: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -47.021171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.021171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.021171 (E_RNA) where: Base-Base interactions energy: -21.152 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.015 local terms energy: -25.854109 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: 2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -54.421993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.421993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.421993 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -22.552 Base-Backbone interact. energy: -0.010 local terms energy: -31.860318 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -42.836811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.836811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.836811 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.179 local terms energy: -26.915163 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -5.485 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: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -41.093999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.093999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.093999 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.086 local terms energy: -25.631021 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -40.254555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.254555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.254555 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.002 local terms energy: -24.757882 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -2.514 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.438 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: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -80.382620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.382620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.382620 (E_RNA) where: Base-Base interactions energy: -44.461 where: short stacking energy: -25.053 Base-Backbone interact. energy: 0.240 local terms energy: -36.162072 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -68.211189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.211189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.211189 (E_RNA) where: Base-Base interactions energy: -29.729 where: short stacking energy: -29.729 Base-Backbone interact. energy: -0.000 local terms energy: -38.482127 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -10.916 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -63.765701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.765701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.765701 (E_RNA) where: Base-Base interactions energy: -25.861 where: short stacking energy: -24.998 Base-Backbone interact. energy: -0.005 local terms energy: -37.899863 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -6.248 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: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -54.586942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.586942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.586942 (E_RNA) where: Base-Base interactions energy: -21.425 where: short stacking energy: -21.425 Base-Backbone interact. energy: -0.000 local terms energy: -33.162138 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -56.380263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.380263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.380263 (E_RNA) where: Base-Base interactions energy: -21.631 where: short stacking energy: -21.631 Base-Backbone interact. energy: -0.000 local terms energy: -34.748604 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -49.694728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.694728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.694728 (E_RNA) where: Base-Base interactions energy: -20.820 where: short stacking energy: -19.535 Base-Backbone interact. energy: -0.003 local terms energy: -28.872016 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -45.830270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.830270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.830270 (E_RNA) where: Base-Base interactions energy: -12.922 where: short stacking energy: -12.922 Base-Backbone interact. energy: -0.102 local terms energy: -32.806889 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -1.707 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: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -47.906917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.906917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.906917 (E_RNA) where: Base-Base interactions energy: -16.485 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.000 local terms energy: -31.422066 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -45.874908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.874908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.874908 (E_RNA) where: Base-Base interactions energy: -16.555 where: short stacking energy: -16.555 Base-Backbone interact. energy: -0.082 local terms energy: -29.237490 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -44.813532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.813532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.813532 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.111 local terms energy: -28.855260 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -2.188 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: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -84.597636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.597636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.597636 (E_RNA) where: Base-Base interactions energy: -48.581 where: short stacking energy: -24.559 Base-Backbone interact. energy: 0.369 local terms energy: -36.385550 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -61.645086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.645086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.645086 (E_RNA) where: Base-Base interactions energy: -24.453 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.003 local terms energy: -37.189099 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.188 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -58.290023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.290023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.290023 (E_RNA) where: Base-Base interactions energy: -27.756 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.138 local terms energy: -30.395865 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -2.737 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: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -47.932762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.932762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.932762 (E_RNA) where: Base-Base interactions energy: -19.198 where: short stacking energy: -12.064 Base-Backbone interact. energy: -0.101 local terms energy: -28.633654 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -7.574 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: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -68.091164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.091164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.091164 (E_RNA) where: Base-Base interactions energy: -33.124 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.002 local terms energy: -34.965191 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -60.186605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.186605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.186605 (E_RNA) where: Base-Base interactions energy: -25.902 where: short stacking energy: -25.902 Base-Backbone interact. energy: -0.000 local terms energy: -34.284162 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -45.923439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.923439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.923439 (E_RNA) where: Base-Base interactions energy: -18.169 where: short stacking energy: -18.169 Base-Backbone interact. energy: -0.000 local terms energy: -27.753709 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.386 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: 8, replica: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -47.576022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.576022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.576022 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.011 local terms energy: -25.337780 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -1.165 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: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -48.248191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.248191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.248191 (E_RNA) where: Base-Base interactions energy: -20.168 where: short stacking energy: -20.168 Base-Backbone interact. energy: -0.013 local terms energy: -28.067351 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -44.596586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.596586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.596586 (E_RNA) where: Base-Base interactions energy: -16.046 where: short stacking energy: -16.046 Base-Backbone interact. energy: -0.120 local terms energy: -28.430471 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.778 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.104 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: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -78.166014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.166014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.166014 (E_RNA) where: Base-Base interactions energy: -43.706 where: short stacking energy: -29.968 Base-Backbone interact. energy: 0.045 local terms energy: -34.504860 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -57.534128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.534128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.534128 (E_RNA) where: Base-Base interactions energy: -24.591 where: short stacking energy: -24.591 Base-Backbone interact. energy: -0.041 local terms energy: -32.901959 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -66.927522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.927522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.927522 (E_RNA) where: Base-Base interactions energy: -34.810 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.002 local terms energy: -32.115465 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -5.416 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: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -57.061469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.061469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.061469 (E_RNA) where: Base-Base interactions energy: -25.775 where: short stacking energy: -23.712 Base-Backbone interact. energy: -0.087 local terms energy: -31.199365 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.016 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: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -47.211752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.211752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.211752 (E_RNA) where: Base-Base interactions energy: -21.324 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.015 local terms energy: -25.873484 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -5.017 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: 6, replica: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -50.438134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.438134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.438134 (E_RNA) where: Base-Base interactions energy: -25.484 where: short stacking energy: -13.897 Base-Backbone interact. energy: -0.104 local terms energy: -24.849470 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -58.548349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.548349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.548349 (E_RNA) where: Base-Base interactions energy: -27.270 where: short stacking energy: -24.948 Base-Backbone interact. energy: -0.000 local terms energy: -31.278709 where: bonds (distance) C4'-P energy: -6.245 bonds (distance) P-C4' energy: -4.716 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -53.143975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.143975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.143975 (E_RNA) where: Base-Base interactions energy: -21.750 where: short stacking energy: -21.750 Base-Backbone interact. energy: -0.000 local terms energy: -31.394024 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -5.882 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: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -45.700976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.700976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.700976 (E_RNA) where: Base-Base interactions energy: -15.079 where: short stacking energy: -15.079 Base-Backbone interact. energy: -0.013 local terms energy: -30.609773 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -39.537633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.537633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.537633 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.029 local terms energy: -28.829852 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -4.100 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: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -79.712459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.712459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.712459 (E_RNA) where: Base-Base interactions energy: -51.304 where: short stacking energy: -27.056 Base-Backbone interact. energy: -0.101 local terms energy: -28.307801 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -0.770 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -60.675973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.675973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.675973 (E_RNA) where: Base-Base interactions energy: -29.941 where: short stacking energy: -21.149 Base-Backbone interact. energy: -0.068 local terms energy: -30.666220 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -57.784563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.784563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.784563 (E_RNA) where: Base-Base interactions energy: -22.867 where: short stacking energy: -22.867 Base-Backbone interact. energy: -0.000 local terms energy: -34.917513 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -61.543958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.543958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.543958 (E_RNA) where: Base-Base interactions energy: -27.608 where: short stacking energy: -27.608 Base-Backbone interact. energy: -0.006 local terms energy: -33.929922 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -69.717006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.717006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.717006 (E_RNA) where: Base-Base interactions energy: -35.978 where: short stacking energy: -26.838 Base-Backbone interact. energy: -0.190 local terms energy: -33.549377 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -48.796205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.796205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.796205 (E_RNA) where: Base-Base interactions energy: -19.089 where: short stacking energy: -19.089 Base-Backbone interact. energy: -0.004 local terms energy: -29.703754 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -1.508 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: 469 Temperature: 1.200000 Total energy: -51.047719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.047719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.047719 (E_RNA) where: Base-Base interactions energy: -26.419 where: short stacking energy: -12.494 Base-Backbone interact. energy: 0.630 local terms energy: -25.258746 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -5.640 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.413 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: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -63.402727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.402727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.402727 (E_RNA) where: Base-Base interactions energy: -26.679 where: short stacking energy: -26.016 Base-Backbone interact. energy: -0.000 local terms energy: -36.723999 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -45.273780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.273780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.273780 (E_RNA) where: Base-Base interactions energy: -16.578 where: short stacking energy: -16.578 Base-Backbone interact. energy: 1.056 local terms energy: -29.751648 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.368 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: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -37.327560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.327560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.327560 (E_RNA) where: Base-Base interactions energy: -14.003 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.003 local terms energy: -23.321674 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -5.650 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -81.134850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.134850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.134850 (E_RNA) where: Base-Base interactions energy: -45.742 where: short stacking energy: -31.789 Base-Backbone interact. energy: -0.000 local terms energy: -35.392610 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.416 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -57.956821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.956821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.956821 (E_RNA) where: Base-Base interactions energy: -22.622 where: short stacking energy: -22.622 Base-Backbone interact. energy: -0.213 local terms energy: -35.122595 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.893 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -4.892 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: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -65.401496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.401496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.401496 (E_RNA) where: Base-Base interactions energy: -27.384 where: short stacking energy: -27.384 Base-Backbone interact. energy: -0.012 local terms energy: -38.005544 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -54.291622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.291622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.291622 (E_RNA) where: Base-Base interactions energy: -22.716 where: short stacking energy: -17.172 Base-Backbone interact. energy: -0.002 local terms energy: -31.573745 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.395 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: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -57.020218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.020218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.020218 (E_RNA) where: Base-Base interactions energy: -26.115 where: short stacking energy: -17.455 Base-Backbone interact. energy: -0.028 local terms energy: -30.877226 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -57.110118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.110118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.110118 (E_RNA) where: Base-Base interactions energy: -26.732 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.001 local terms energy: -30.377285 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -42.443403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.443403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.443403 (E_RNA) where: Base-Base interactions energy: -14.838 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.015 local terms energy: -27.590619 where: bonds (distance) C4'-P energy: -4.232 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -44.125392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125392 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.043 local terms energy: -31.630948 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -41.154948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.154948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.154948 (E_RNA) where: Base-Base interactions energy: -16.871 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.537 local terms energy: -23.746970 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -3.759 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -49.284256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.284256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.284256 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.001 local terms energy: -27.021711 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -2.464 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: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -66.255666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.255666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.255666 (E_RNA) where: Base-Base interactions energy: -27.545 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.001 local terms energy: -38.709622 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -70.086457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.086457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.086457 (E_RNA) where: Base-Base interactions energy: -29.230 where: short stacking energy: -26.593 Base-Backbone interact. energy: -0.000 local terms energy: -40.856758 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -9.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -57.532543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.532543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.532543 (E_RNA) where: Base-Base interactions energy: -25.169 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.195 local terms energy: -32.168269 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -63.252311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.252311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.252311 (E_RNA) where: Base-Base interactions energy: -28.474 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.000 local terms energy: -34.778434 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -6.561 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -7.849 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: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -57.181232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.181232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.181232 (E_RNA) where: Base-Base interactions energy: -31.784 where: short stacking energy: -21.236 Base-Backbone interact. energy: -0.003 local terms energy: -25.394730 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -2.271 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -49.921068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.921068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.921068 (E_RNA) where: Base-Base interactions energy: -22.701 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.054 local terms energy: -27.166056 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: 1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -43.886189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.886189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.886189 (E_RNA) where: Base-Base interactions energy: -16.110 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.179 local terms energy: -27.597094 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: 1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -52.245080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.245080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.245080 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -20.499 Base-Backbone interact. energy: -0.003 local terms energy: -31.692211 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -5.879 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: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -45.812447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.812447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.812447 (E_RNA) where: Base-Base interactions energy: -20.013 where: short stacking energy: -20.013 Base-Backbone interact. energy: -0.003 local terms energy: -25.797129 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -41.392173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.392173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.392173 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.106 local terms energy: -28.920858 where: bonds (distance) C4'-P energy: -7.208 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -5.106 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: 1, replica: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -67.598750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.598750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.598750 (E_RNA) where: Base-Base interactions energy: -33.724 where: short stacking energy: -21.052 Base-Backbone interact. energy: -0.086 local terms energy: -33.788634 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -6.607 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: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -70.990430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.990430 (E_RNA) where: Base-Base interactions energy: -34.034 where: short stacking energy: -31.021 Base-Backbone interact. energy: -0.000 local terms energy: -36.956536 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -8.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -60.674378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.674378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.674378 (E_RNA) where: Base-Base interactions energy: -25.640 where: short stacking energy: -25.640 Base-Backbone interact. energy: -0.225 local terms energy: -34.809425 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -5.021 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: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -55.697570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.697570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.697570 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -21.188 Base-Backbone interact. energy: -0.001 local terms energy: -32.037293 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -53.884623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.884623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.884623 (E_RNA) where: Base-Base interactions energy: -20.348 where: short stacking energy: -20.348 Base-Backbone interact. energy: -0.017 local terms energy: -33.519899 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -56.442443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.442443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.442443 (E_RNA) where: Base-Base interactions energy: -22.155 where: short stacking energy: -16.686 Base-Backbone interact. energy: -0.018 local terms energy: -34.269619 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -2.999 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: 7, replica: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -52.953266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.953266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.953266 (E_RNA) where: Base-Base interactions energy: -27.538 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.205 local terms energy: -25.210132 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: 2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -54.723568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.723568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.723568 (E_RNA) where: Base-Base interactions energy: -24.464 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.005 local terms energy: -30.254213 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.153 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: 9, replica: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -37.679460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.679460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.679460 (E_RNA) where: Base-Base interactions energy: -9.095 where: short stacking energy: -9.095 Base-Backbone interact. energy: -0.147 local terms energy: -28.437364 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -38.008288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.008288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.008288 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.051 local terms energy: -29.214625 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -69.369146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.369146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.369146 (E_RNA) where: Base-Base interactions energy: -31.852 where: short stacking energy: -31.852 Base-Backbone interact. energy: -0.000 local terms energy: -37.516678 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -10.951 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -51.937924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.937924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.937924 (E_RNA) where: Base-Base interactions energy: -18.497 where: short stacking energy: -18.497 Base-Backbone interact. energy: -0.082 local terms energy: -33.359206 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -6.275 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: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -69.362394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.362394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.362394 (E_RNA) where: Base-Base interactions energy: -42.222 where: short stacking energy: -25.727 Base-Backbone interact. energy: -0.042 local terms energy: -27.097937 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -56.061108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.061108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.061108 (E_RNA) where: Base-Base interactions energy: -24.985 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.013 local terms energy: -31.063110 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -63.678318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.678318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.678318 (E_RNA) where: Base-Base interactions energy: -29.597 where: short stacking energy: -29.540 Base-Backbone interact. energy: -0.065 local terms energy: -34.016918 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -7.232 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: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -48.060327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.060327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.060327 (E_RNA) where: Base-Base interactions energy: -15.361 where: short stacking energy: -15.361 Base-Backbone interact. energy: -0.050 local terms energy: -32.649165 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -5.657 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: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -54.766564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.766564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.766564 (E_RNA) where: Base-Base interactions energy: -26.783 where: short stacking energy: -23.874 Base-Backbone interact. energy: -0.000 local terms energy: -27.983755 where: bonds (distance) C4'-P energy: -2.364 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -4.322 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: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -43.011954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.011954 (E_RNA) where: Base-Base interactions energy: -14.164 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.022 local terms energy: -28.826410 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -40.675104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.675104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.675104 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.001 local terms energy: -30.783619 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -42.029795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.029795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.029795 (E_RNA) where: Base-Base interactions energy: -16.517 where: short stacking energy: -16.517 Base-Backbone interact. energy: -0.045 local terms energy: -25.467846 where: bonds (distance) C4'-P energy: -6.082 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -74.335156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.335156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.335156 (E_RNA) where: Base-Base interactions energy: -34.431 where: short stacking energy: -34.431 Base-Backbone interact. energy: -0.000 local terms energy: -39.904282 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -10.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -70.974526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.974526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.974526 (E_RNA) where: Base-Base interactions energy: -32.091 where: short stacking energy: -32.091 Base-Backbone interact. energy: -0.000 local terms energy: -38.883937 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -59.423744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.423744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.423744 (E_RNA) where: Base-Base interactions energy: -34.003 where: short stacking energy: -19.040 Base-Backbone interact. energy: -0.024 local terms energy: -25.396176 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -1.320 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: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -50.865999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.865999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.865999 (E_RNA) where: Base-Base interactions energy: -23.286 where: short stacking energy: -23.286 Base-Backbone interact. energy: -0.007 local terms energy: -27.572887 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -59.745213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.745213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.745213 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -25.921 Base-Backbone interact. energy: -0.000 local terms energy: -31.423271 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -7.061 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: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -51.874880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.874880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.874880 (E_RNA) where: Base-Base interactions energy: -19.583 where: short stacking energy: -19.516 Base-Backbone interact. energy: -0.001 local terms energy: -32.291031 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.632 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: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -50.861601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.861601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.861601 (E_RNA) where: Base-Base interactions energy: -19.851 where: short stacking energy: -17.131 Base-Backbone interact. energy: -0.082 local terms energy: -30.929092 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -45.067438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.067438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.067438 (E_RNA) where: Base-Base interactions energy: -20.619 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.191 local terms energy: -24.256670 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -41.080117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.080117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.080117 (E_RNA) where: Base-Base interactions energy: -13.083 where: short stacking energy: -13.083 Base-Backbone interact. energy: -0.091 local terms energy: -27.906369 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -5.653 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: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -38.207913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.207913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.207913 (E_RNA) where: Base-Base interactions energy: -12.707 where: short stacking energy: -12.707 Base-Backbone interact. energy: -0.078 local terms energy: -25.422928 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: 0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -62.539940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.539940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.539940 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -25.925 Base-Backbone interact. energy: -0.099 local terms energy: -36.515699 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -6.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -61.786615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.786615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.786615 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -24.000 Base-Backbone interact. energy: -0.000 local terms energy: -37.786454 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -8.889 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: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -65.377052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.377052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.377052 (E_RNA) where: Base-Base interactions energy: -30.613 where: short stacking energy: -26.011 Base-Backbone interact. energy: -0.021 local terms energy: -34.742632 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -5.890 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: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -64.647509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.647509 (E_RNA) where: Base-Base interactions energy: -29.340 where: short stacking energy: -29.340 Base-Backbone interact. energy: -0.000 local terms energy: -35.307305 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -6.234 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: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -51.469345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.469345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.469345 (E_RNA) where: Base-Base interactions energy: -20.115 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.000 local terms energy: -31.354304 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -51.665190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.665190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.665190 (E_RNA) where: Base-Base interactions energy: -24.476 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.097 local terms energy: -27.092363 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -44.479954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.479954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.479954 (E_RNA) where: Base-Base interactions energy: -16.585 where: short stacking energy: -6.676 Base-Backbone interact. energy: -0.193 local terms energy: -27.701229 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -37.717453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.717453 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.050 local terms energy: -26.522662 where: bonds (distance) C4'-P energy: -5.816 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -52.620358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.620358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.620358 (E_RNA) where: Base-Base interactions energy: -23.042 where: short stacking energy: -10.273 Base-Backbone interact. energy: 0.855 local terms energy: -30.433017 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -2.165 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: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -48.276821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.276821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.276821 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.005 local terms energy: -32.467707 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -6.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -68.862013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.862013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.862013 (E_RNA) where: Base-Base interactions energy: -38.148 where: short stacking energy: -24.925 Base-Backbone interact. energy: -0.128 local terms energy: -30.586285 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -66.747761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.747761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.747761 (E_RNA) where: Base-Base interactions energy: -32.065 where: short stacking energy: -25.624 Base-Backbone interact. energy: -0.027 local terms energy: -34.655384 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -65.883319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.883319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.883319 (E_RNA) where: Base-Base interactions energy: -28.058 where: short stacking energy: -28.058 Base-Backbone interact. energy: -0.000 local terms energy: -37.824796 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -53.875611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.875611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.875611 (E_RNA) where: Base-Base interactions energy: -21.824 where: short stacking energy: -21.824 Base-Backbone interact. energy: -0.829 local terms energy: -31.222674 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -57.599900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.599900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.599900 (E_RNA) where: Base-Base interactions energy: -29.998 where: short stacking energy: -22.063 Base-Backbone interact. energy: -0.057 local terms energy: -27.544327 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -49.741784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.741784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.741784 (E_RNA) where: Base-Base interactions energy: -25.598 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.248 local terms energy: -23.895792 where: bonds (distance) C4'-P energy: -4.674 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -1.438 flat angles P-C4'-P energy: -5.373 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: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -51.841495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.841495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.841495 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.231 local terms energy: -34.222933 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.191 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: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -50.665625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.665625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.665625 (E_RNA) where: Base-Base interactions energy: -16.983 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.000 local terms energy: -33.682520 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -40.529887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.529887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.529887 (E_RNA) where: Base-Base interactions energy: -15.514 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.091 local terms energy: -24.924549 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -0.269 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: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -44.342844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.342844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.342844 (E_RNA) where: Base-Base interactions energy: -20.407 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.000 local terms energy: -23.935603 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -2.795 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: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -77.994401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.994401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.994401 (E_RNA) where: Base-Base interactions energy: -40.715 where: short stacking energy: -25.732 Base-Backbone interact. energy: 1.137 local terms energy: -38.416676 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -8.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -60.478513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.478513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.478513 (E_RNA) where: Base-Base interactions energy: -27.628 where: short stacking energy: -18.357 Base-Backbone interact. energy: -0.097 local terms energy: -32.753726 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.638 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: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -52.638707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.638707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.638707 (E_RNA) where: Base-Base interactions energy: -18.716 where: short stacking energy: -18.716 Base-Backbone interact. energy: -0.047 local terms energy: -33.875897 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -65.853442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.853442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.853442 (E_RNA) where: Base-Base interactions energy: -28.236 where: short stacking energy: -27.250 Base-Backbone interact. energy: -0.000 local terms energy: -37.616845 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -66.224461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.224461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.224461 (E_RNA) where: Base-Base interactions energy: -27.917 where: short stacking energy: -25.421 Base-Backbone interact. energy: -0.001 local terms energy: -38.306642 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -47.080535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.080535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.080535 (E_RNA) where: Base-Base interactions energy: -18.448 where: short stacking energy: -13.792 Base-Backbone interact. energy: -0.046 local terms energy: -28.586003 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -60.184598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.184598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.184598 (E_RNA) where: Base-Base interactions energy: -25.585 where: short stacking energy: -17.989 Base-Backbone interact. energy: -0.008 local terms energy: -34.591444 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -49.663239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.663239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.663239 (E_RNA) where: Base-Base interactions energy: -17.338 where: short stacking energy: -17.338 Base-Backbone interact. energy: -0.041 local terms energy: -32.283714 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -42.580485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.580485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.580485 (E_RNA) where: Base-Base interactions energy: -13.752 where: short stacking energy: -9.654 Base-Backbone interact. energy: -0.260 local terms energy: -28.568473 where: bonds (distance) C4'-P energy: -2.298 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -5.331 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: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -42.525579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.525579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.525579 (E_RNA) where: Base-Base interactions energy: -12.355 where: short stacking energy: -12.355 Base-Backbone interact. energy: -0.001 local terms energy: -30.170119 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -4.488 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: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -62.663251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.663251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.663251 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -29.303 Base-Backbone interact. energy: -0.012 local terms energy: -33.347510 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -8.241 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: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -72.695348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.695348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.695348 (E_RNA) where: Base-Base interactions energy: -37.004 where: short stacking energy: -25.262 Base-Backbone interact. energy: -0.423 local terms energy: -35.268553 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -57.363824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.363824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.363824 (E_RNA) where: Base-Base interactions energy: -26.692 where: short stacking energy: -26.692 Base-Backbone interact. energy: -0.000 local terms energy: -30.671342 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -50.540419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.540419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.540419 (E_RNA) where: Base-Base interactions energy: -19.487 where: short stacking energy: -19.487 Base-Backbone interact. energy: 0.633 local terms energy: -31.686581 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -5.896 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: 5, replica: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -53.866622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.866622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.866622 (E_RNA) where: Base-Base interactions energy: -24.765 where: short stacking energy: -24.765 Base-Backbone interact. energy: -0.001 local terms energy: -29.100638 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -50.732961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.732961 (E_RNA) where: Base-Base interactions energy: -31.301 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.116 local terms energy: -19.314994 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -5.037 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -49.599971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.599971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.599971 (E_RNA) where: Base-Base interactions energy: -25.806 where: short stacking energy: -15.598 Base-Backbone interact. energy: -0.188 local terms energy: -23.606012 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -42.792208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.792208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.792208 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.025 local terms energy: -29.038049 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -48.415045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.415045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.415045 (E_RNA) where: Base-Base interactions energy: -20.921 where: short stacking energy: -20.921 Base-Backbone interact. energy: -0.004 local terms energy: -27.490172 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -40.953589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.953589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.953589 (E_RNA) where: Base-Base interactions energy: -17.320 where: short stacking energy: -17.320 Base-Backbone interact. energy: -0.209 local terms energy: -23.425411 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.950 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: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -70.081442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.081442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.081442 (E_RNA) where: Base-Base interactions energy: -31.315 where: short stacking energy: -31.315 Base-Backbone interact. energy: -0.000 local terms energy: -38.766656 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -8.763 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: 2, replica: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -67.164642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.164642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.164642 (E_RNA) where: Base-Base interactions energy: -35.919 where: short stacking energy: -18.967 Base-Backbone interact. energy: -0.065 local terms energy: -31.180517 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -6.100 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: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -47.928316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.928316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.928316 (E_RNA) where: Base-Base interactions energy: -19.008 where: short stacking energy: -19.008 Base-Backbone interact. energy: -0.099 local terms energy: -28.821797 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -3.251 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: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -59.230822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.230822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.230822 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -28.322 Base-Backbone interact. energy: -0.000 local terms energy: -30.909072 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -59.027920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.027920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.027920 (E_RNA) where: Base-Base interactions energy: -30.085 where: short stacking energy: -20.164 Base-Backbone interact. energy: -0.005 local terms energy: -28.938774 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.166 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -6.244 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: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -48.191169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.191169 (E_RNA) where: Base-Base interactions energy: -18.687 where: short stacking energy: -15.727 Base-Backbone interact. energy: -0.279 local terms energy: -29.225018 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.442 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: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -50.016156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.016156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.016156 (E_RNA) where: Base-Base interactions energy: -16.717 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.001 local terms energy: -33.298505 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -46.546013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.546013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.546013 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.262 Base-Backbone interact. energy: -0.000 local terms energy: -29.283435 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -48.901318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.901318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.901318 (E_RNA) where: Base-Base interactions energy: -23.176 where: short stacking energy: -23.176 Base-Backbone interact. energy: -0.004 local terms energy: -25.721624 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -1.195 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: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -46.168907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.168907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.168907 (E_RNA) where: Base-Base interactions energy: -19.440 where: short stacking energy: -19.440 Base-Backbone interact. energy: -0.046 local terms energy: -26.683021 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -64.546155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.546155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.546155 (E_RNA) where: Base-Base interactions energy: -26.957 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.000 local terms energy: -37.588765 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -65.866564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.866564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.866564 (E_RNA) where: Base-Base interactions energy: -26.105 where: short stacking energy: -26.105 Base-Backbone interact. energy: -0.008 local terms energy: -39.753711 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -79.051351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.051351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.051351 (E_RNA) where: Base-Base interactions energy: -40.976 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.000 local terms energy: -38.075444 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -48.845852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.845852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.845852 (E_RNA) where: Base-Base interactions energy: -21.463 where: short stacking energy: -20.942 Base-Backbone interact. energy: -0.026 local terms energy: -27.357248 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -60.067247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.067247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.067247 (E_RNA) where: Base-Base interactions energy: -28.678 where: short stacking energy: -15.944 Base-Backbone interact. energy: -0.350 local terms energy: -31.039631 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.254 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: 6, replica: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -52.810232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.810232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.810232 (E_RNA) where: Base-Base interactions energy: -21.587 where: short stacking energy: -21.587 Base-Backbone interact. energy: -0.080 local terms energy: -31.142535 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.640 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: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -44.736529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.736529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.736529 (E_RNA) where: Base-Base interactions energy: -17.095 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.043 local terms energy: -27.597857 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.478 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: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -45.374720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.374720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.374720 (E_RNA) where: Base-Base interactions energy: -18.854 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.010 local terms energy: -26.510462 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -3.259 flat angles P-C4'-P energy: -2.773 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: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -46.808243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.808243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.808243 (E_RNA) where: Base-Base interactions energy: -13.369 where: short stacking energy: -13.369 Base-Backbone interact. energy: 0.082 local terms energy: -33.521060 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -37.955229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955229 (E_RNA) where: Base-Base interactions energy: -16.959 where: short stacking energy: -16.959 Base-Backbone interact. energy: -0.125 local terms energy: -20.871432 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -68.129665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.129665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.129665 (E_RNA) where: Base-Base interactions energy: -33.506 where: short stacking energy: -33.506 Base-Backbone interact. energy: -0.001 local terms energy: -34.622983 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -79.210752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.210752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.210752 (E_RNA) where: Base-Base interactions energy: -49.941 where: short stacking energy: -23.442 Base-Backbone interact. energy: -0.005 local terms energy: -29.265201 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -57.204788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.204788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.204788 (E_RNA) where: Base-Base interactions energy: -22.739 where: short stacking energy: -22.739 Base-Backbone interact. energy: -0.001 local terms energy: -34.464595 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -5.340 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: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -74.038475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.038475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.038475 (E_RNA) where: Base-Base interactions energy: -41.698 where: short stacking energy: -26.496 Base-Backbone interact. energy: -0.007 local terms energy: -32.333920 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -6.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -50.510766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.510766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.510766 (E_RNA) where: Base-Base interactions energy: -20.326 where: short stacking energy: -17.054 Base-Backbone interact. energy: -0.185 local terms energy: -29.999731 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.085 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: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -53.024114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.024114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.024114 (E_RNA) where: Base-Base interactions energy: -16.796 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.692 local terms energy: -35.536395 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -9.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -50.384564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.384564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.384564 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.611 local terms energy: -32.442656 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -6.145 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: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -42.480692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.480692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.480692 (E_RNA) where: Base-Base interactions energy: -15.420 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.075 local terms energy: -26.985698 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -38.714914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.714914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.714914 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -7.870 Base-Backbone interact. energy: -1.061 local terms energy: -28.645419 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -42.872820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.872820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.872820 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.044 local terms energy: -28.877026 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.003 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: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -79.154267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.154267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.154267 (E_RNA) where: Base-Base interactions energy: -40.096 where: short stacking energy: -28.110 Base-Backbone interact. energy: -0.000 local terms energy: -39.058113 where: bonds (distance) C4'-P energy: -9.062 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -54.448990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448990 (E_RNA) where: Base-Base interactions energy: -25.079 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.054 local terms energy: -29.315921 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -5.213 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -4.623 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -63.700382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.700382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.700382 (E_RNA) where: Base-Base interactions energy: -33.858 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.007 local terms energy: -29.834841 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -57.093121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.093121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.093121 (E_RNA) where: Base-Base interactions energy: -25.786 where: short stacking energy: -25.786 Base-Backbone interact. energy: -0.000 local terms energy: -31.307063 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -5.233 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: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -47.688260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.688260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.688260 (E_RNA) where: Base-Base interactions energy: -22.103 where: short stacking energy: -20.425 Base-Backbone interact. energy: -0.007 local terms energy: -25.578046 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -51.004303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.004303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.004303 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.003 local terms energy: -30.544834 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -46.252647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.252647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.252647 (E_RNA) where: Base-Base interactions energy: -15.935 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.001 local terms energy: -30.316266 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -47.812869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.812869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.812869 (E_RNA) where: Base-Base interactions energy: -16.363 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.972 local terms energy: -30.477758 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -43.428130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.428130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.428130 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.012 local terms energy: -28.314809 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -39.451357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.451357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.451357 (E_RNA) where: Base-Base interactions energy: -21.299 where: short stacking energy: -21.299 Base-Backbone interact. energy: -0.017 local terms energy: -18.135546 where: bonds (distance) C4'-P energy: -3.097 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -0.564 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -82.630481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.630481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.630481 (E_RNA) where: Base-Base interactions energy: -46.706 where: short stacking energy: -28.389 Base-Backbone interact. energy: -0.003 local terms energy: -35.921989 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -64.666700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.666700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.666700 (E_RNA) where: Base-Base interactions energy: -31.945 where: short stacking energy: -15.210 Base-Backbone interact. energy: -0.009 local terms energy: -32.713063 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -58.209323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.209323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.209323 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -20.944 Base-Backbone interact. energy: -0.001 local terms energy: -34.185994 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -6.223 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: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -57.171725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.171725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.171725 (E_RNA) where: Base-Base interactions energy: -22.412 where: short stacking energy: -22.412 Base-Backbone interact. energy: -0.000 local terms energy: -34.759687 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -9.053 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: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -52.091260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.091260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.091260 (E_RNA) where: Base-Base interactions energy: -23.436 where: short stacking energy: -23.436 Base-Backbone interact. energy: 1.716 local terms energy: -30.371378 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -6.349 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: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -57.374278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.374278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.374278 (E_RNA) where: Base-Base interactions energy: -24.457 where: short stacking energy: -23.615 Base-Backbone interact. energy: -0.001 local terms energy: -32.916402 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -9.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -49.067825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.067825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.067825 (E_RNA) where: Base-Base interactions energy: -16.902 where: short stacking energy: -16.902 Base-Backbone interact. energy: -0.038 local terms energy: -32.127987 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -39.786700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.786700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.786700 (E_RNA) where: Base-Base interactions energy: -14.081 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.063 local terms energy: -25.642946 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -6.188 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: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -47.286296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.286296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.286296 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.101 local terms energy: -28.133181 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -4.455 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: 5 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -39.551343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551343 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -6.100 Base-Backbone interact. energy: -0.020 local terms energy: -25.328792 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -80.176446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.176446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.176446 (E_RNA) where: Base-Base interactions energy: -43.818 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.001 local terms energy: -36.357215 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -60.751512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.751512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.751512 (E_RNA) where: Base-Base interactions energy: -29.692 where: short stacking energy: -21.265 Base-Backbone interact. energy: -0.001 local terms energy: -31.058388 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -5.524 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: 3, replica: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -70.045980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.045980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.045980 (E_RNA) where: Base-Base interactions energy: -31.974 where: short stacking energy: -31.974 Base-Backbone interact. energy: -0.000 local terms energy: -38.072287 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -9.606 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -10.546 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: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -64.106680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.106680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.106680 (E_RNA) where: Base-Base interactions energy: -29.665 where: short stacking energy: -18.378 Base-Backbone interact. energy: -0.000 local terms energy: -34.441171 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -59.982662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.982662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.982662 (E_RNA) where: Base-Base interactions energy: -28.583 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.028 local terms energy: -31.371764 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -54.188410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.188410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.188410 (E_RNA) where: Base-Base interactions energy: -20.577 where: short stacking energy: -20.577 Base-Backbone interact. energy: -0.000 local terms energy: -33.610999 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -4.735 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: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -47.434080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.434080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.434080 (E_RNA) where: Base-Base interactions energy: -14.420 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.079 local terms energy: -32.934283 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -44.942543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.942543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.942543 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.935 local terms energy: -27.504334 where: bonds (distance) C4'-P energy: -4.861 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.751 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: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -43.290153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290153 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -15.697 Base-Backbone interact. energy: 0.326 local terms energy: -27.919009 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -4.846 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: 5 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -45.602463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.602463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.602463 (E_RNA) where: Base-Base interactions energy: -14.801 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.000 local terms energy: -30.801508 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -4.526 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: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -84.270266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.270266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.270266 (E_RNA) where: Base-Base interactions energy: -46.125 where: short stacking energy: -29.511 Base-Backbone interact. energy: -0.665 local terms energy: -37.479720 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -78.835381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.835381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.835381 (E_RNA) where: Base-Base interactions energy: -51.070 where: short stacking energy: -22.162 Base-Backbone interact. energy: -0.441 local terms energy: -27.324435 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -4.836 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: 3, replica: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -73.635982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.635982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.635982 (E_RNA) where: Base-Base interactions energy: -40.463 where: short stacking energy: -26.997 Base-Backbone interact. energy: -0.501 local terms energy: -32.671835 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -48.258369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.258369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.258369 (E_RNA) where: Base-Base interactions energy: -18.950 where: short stacking energy: -18.950 Base-Backbone interact. energy: -0.002 local terms energy: -29.306013 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -4.540 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: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -55.420749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.420749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.420749 (E_RNA) where: Base-Base interactions energy: -21.842 where: short stacking energy: -21.842 Base-Backbone interact. energy: -0.001 local terms energy: -33.578067 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -55.514715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.514715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.514715 (E_RNA) where: Base-Base interactions energy: -23.688 where: short stacking energy: -23.688 Base-Backbone interact. energy: -0.000 local terms energy: -31.826789 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -46.337507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.337507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.337507 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.001 local terms energy: -31.141114 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -46.125938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.125938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.125938 (E_RNA) where: Base-Base interactions energy: -19.298 where: short stacking energy: -18.985 Base-Backbone interact. energy: -0.051 local terms energy: -26.777030 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: 0.372 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -41.065641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.065641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.065641 (E_RNA) where: Base-Base interactions energy: -18.263 where: short stacking energy: -18.263 Base-Backbone interact. energy: -0.933 local terms energy: -21.870361 where: bonds (distance) C4'-P energy: -3.249 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -2.025 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: 10, replica: 5 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -49.555907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.555907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.555907 (E_RNA) where: Base-Base interactions energy: -22.686 where: short stacking energy: -22.686 Base-Backbone interact. energy: -0.004 local terms energy: -26.866623 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.718 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -5.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -74.707671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.707671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.707671 (E_RNA) where: Base-Base interactions energy: -41.050 where: short stacking energy: -27.222 Base-Backbone interact. energy: -0.001 local terms energy: -33.656311 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -78.366614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.366614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.366614 (E_RNA) where: Base-Base interactions energy: -43.816 where: short stacking energy: -24.121 Base-Backbone interact. energy: 0.662 local terms energy: -35.213402 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -6.141 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: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -58.891380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.891380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.891380 (E_RNA) where: Base-Base interactions energy: -24.997 where: short stacking energy: -18.717 Base-Backbone interact. energy: -0.004 local terms energy: -33.890591 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -56.320525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.320525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.320525 (E_RNA) where: Base-Base interactions energy: -21.134 where: short stacking energy: -21.134 Base-Backbone interact. energy: -0.000 local terms energy: -35.186119 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -57.954352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.954352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.954352 (E_RNA) where: Base-Base interactions energy: -27.633 where: short stacking energy: -16.330 Base-Backbone interact. energy: 0.020 local terms energy: -30.341306 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -52.608978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.608978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.608978 (E_RNA) where: Base-Base interactions energy: -20.197 where: short stacking energy: -20.197 Base-Backbone interact. energy: -0.000 local terms energy: -32.412304 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -6.056 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: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -49.185815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.185815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.185815 (E_RNA) where: Base-Base interactions energy: -19.303 where: short stacking energy: -19.303 Base-Backbone interact. energy: -0.002 local terms energy: -29.881126 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -43.502017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.502017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.502017 (E_RNA) where: Base-Base interactions energy: -14.910 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.051 local terms energy: -28.540641 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.827 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -43.886420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.886420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.886420 (E_RNA) where: Base-Base interactions energy: -17.412 where: short stacking energy: -17.412 Base-Backbone interact. energy: -0.063 local terms energy: -26.411363 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -2.976 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: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -40.923456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.923456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.923456 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.174 local terms energy: -28.149743 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -68.812519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.812519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.812519 (E_RNA) where: Base-Base interactions energy: -34.036 where: short stacking energy: -19.570 Base-Backbone interact. energy: -0.064 local terms energy: -34.712104 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -5.175 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: 2, replica: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -72.011863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.011863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.011863 (E_RNA) where: Base-Base interactions energy: -40.037 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.054 local terms energy: -31.921079 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -4.967 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: 3, replica: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -62.106624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.106624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.106624 (E_RNA) where: Base-Base interactions energy: -26.521 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.008 local terms energy: -35.577514 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -8.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -55.463856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.463856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.463856 (E_RNA) where: Base-Base interactions energy: -18.920 where: short stacking energy: -18.920 Base-Backbone interact. energy: -0.000 local terms energy: -36.543650 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -58.793426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.793426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.793426 (E_RNA) where: Base-Base interactions energy: -28.210 where: short stacking energy: -16.029 Base-Backbone interact. energy: -0.031 local terms energy: -30.552319 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -2.971 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: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -47.593075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.593075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.593075 (E_RNA) where: Base-Base interactions energy: -19.081 where: short stacking energy: -19.081 Base-Backbone interact. energy: 0.634 local terms energy: -29.146523 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -46.507047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.507047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.507047 (E_RNA) where: Base-Base interactions energy: -23.732 where: short stacking energy: -17.331 Base-Backbone interact. energy: -0.003 local terms energy: -22.771956 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: 1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -46.347199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.347199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.347199 (E_RNA) where: Base-Base interactions energy: -20.036 where: short stacking energy: -14.637 Base-Backbone interact. energy: -0.035 local terms energy: -26.275969 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.346 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: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -42.280552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.280552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.280552 (E_RNA) where: Base-Base interactions energy: -18.222 where: short stacking energy: -9.117 Base-Backbone interact. energy: 1.305 local terms energy: -25.362686 where: bonds (distance) C4'-P energy: -3.608 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -54.233791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.233791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.233791 (E_RNA) where: Base-Base interactions energy: -25.616 where: short stacking energy: -25.616 Base-Backbone interact. energy: -0.000 local terms energy: -28.618007 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -6.603 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: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -80.008886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.008886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.008886 (E_RNA) where: Base-Base interactions energy: -45.979 where: short stacking energy: -22.011 Base-Backbone interact. energy: -0.167 local terms energy: -33.863338 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -7.448 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: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -66.789006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.789006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.789006 (E_RNA) where: Base-Base interactions energy: -29.506 where: short stacking energy: -29.506 Base-Backbone interact. energy: -0.000 local terms energy: -37.283057 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -9.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -59.281009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.281009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.281009 (E_RNA) where: Base-Base interactions energy: -23.913 where: short stacking energy: -23.913 Base-Backbone interact. energy: -0.031 local terms energy: -35.337282 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -6.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -66.111970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.111970 (E_RNA) where: Base-Base interactions energy: -32.711 where: short stacking energy: -21.845 Base-Backbone interact. energy: -0.000 local terms energy: -33.401041 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -59.379973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.379973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.379973 (E_RNA) where: Base-Base interactions energy: -25.849 where: short stacking energy: -21.798 Base-Backbone interact. energy: -0.004 local terms energy: -33.526776 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -45.457544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.457544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.457544 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.523 local terms energy: -23.190828 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -50.362775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.362775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.362775 (E_RNA) where: Base-Base interactions energy: -21.595 where: short stacking energy: -21.595 Base-Backbone interact. energy: 0.101 local terms energy: -28.868957 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -5.716 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -7.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -44.511673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.511673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.511673 (E_RNA) where: Base-Base interactions energy: -13.747 where: short stacking energy: -13.747 Base-Backbone interact. energy: -0.629 local terms energy: -30.135263 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -6.601 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -7.472 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: 488 Temperature: 1.300000 Total energy: -43.063603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.063603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.063603 (E_RNA) where: Base-Base interactions energy: -15.281 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.000 local terms energy: -27.782779 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -2.996 flat angles P-C4'-P energy: -6.122 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: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -37.967791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967791 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: 0.019 local terms energy: -25.635307 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -77.123527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.123527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.123527 (E_RNA) where: Base-Base interactions energy: -34.500 where: short stacking energy: -34.500 Base-Backbone interact. energy: -0.000 local terms energy: -42.623353 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.046 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -11.727 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: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -59.614864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.614864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.614864 (E_RNA) where: Base-Base interactions energy: -28.418 where: short stacking energy: -27.973 Base-Backbone interact. energy: -0.003 local terms energy: -31.193405 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -6.906 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: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -60.485107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.485107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.485107 (E_RNA) where: Base-Base interactions energy: -25.691 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.000 local terms energy: -34.793798 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -8.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -58.632430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.632430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.632430 (E_RNA) where: Base-Base interactions energy: -24.875 where: short stacking energy: -24.875 Base-Backbone interact. energy: -0.011 local terms energy: -33.746232 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -4.965 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -55.665391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.665391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.665391 (E_RNA) where: Base-Base interactions energy: -26.320 where: short stacking energy: -26.320 Base-Backbone interact. energy: -0.000 local terms energy: -29.344562 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -3.671 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -44.113989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.113989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.113989 (E_RNA) where: Base-Base interactions energy: -19.558 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.057 local terms energy: -24.498250 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -1.229 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: 7, replica: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -55.105150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.105150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.105150 (E_RNA) where: Base-Base interactions energy: -21.853 where: short stacking energy: -21.853 Base-Backbone interact. energy: -0.001 local terms energy: -33.251953 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -49.119250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.119250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.119250 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.729 Base-Backbone interact. energy: -0.076 local terms energy: -31.314053 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -46.958455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.958455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.958455 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.000 local terms energy: -29.892098 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -4.433 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -41.303075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.303075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.303075 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.061 local terms energy: -26.909350 where: bonds (distance) C4'-P energy: -6.919 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -73.027106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.027106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.027106 (E_RNA) where: Base-Base interactions energy: -35.137 where: short stacking energy: -35.137 Base-Backbone interact. energy: -0.000 local terms energy: -37.889491 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -11.290 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: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -62.608874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.608874 (E_RNA) where: Base-Base interactions energy: -28.231 where: short stacking energy: -28.231 Base-Backbone interact. energy: -0.000 local terms energy: -34.377745 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -54.876984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.876984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.876984 (E_RNA) where: Base-Base interactions energy: -22.377 where: short stacking energy: -22.377 Base-Backbone interact. energy: -0.188 local terms energy: -32.312312 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -6.502 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: 4, replica: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -58.010173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.010173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.010173 (E_RNA) where: Base-Base interactions energy: -30.558 where: short stacking energy: -18.199 Base-Backbone interact. energy: -0.928 local terms energy: -26.524393 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -47.219084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.219084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.219084 (E_RNA) where: Base-Base interactions energy: -19.832 where: short stacking energy: -15.787 Base-Backbone interact. energy: 0.656 local terms energy: -28.043220 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -44.697462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.697462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.697462 (E_RNA) where: Base-Base interactions energy: -16.340 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.001 local terms energy: -28.356462 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.670 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -6.700 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: 7, replica: 3 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -46.297084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.297084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.297084 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -18.017 Base-Backbone interact. energy: -0.086 local terms energy: -28.194023 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -42.239791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.239791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.239791 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.729 Base-Backbone interact. energy: -0.016 local terms energy: -24.494629 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -47.638190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.638190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.638190 (E_RNA) where: Base-Base interactions energy: -23.101 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.681 local terms energy: -23.855458 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -0.707 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -42.569235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.569235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.569235 (E_RNA) where: Base-Base interactions energy: -15.880 where: short stacking energy: -15.880 Base-Backbone interact. energy: -0.004 local terms energy: -26.684953 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -1.744 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -60.104859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.104859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.104859 (E_RNA) where: Base-Base interactions energy: -23.577 where: short stacking energy: -23.577 Base-Backbone interact. energy: -0.004 local terms energy: -36.523521 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -6.508 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: 2, replica: 9 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -66.937019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.937019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.937019 (E_RNA) where: Base-Base interactions energy: -36.178 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.013 local terms energy: -30.746095 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -55.474727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.474727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.474727 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -17.285 Base-Backbone interact. energy: -0.054 local terms energy: -32.316993 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -5.301 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: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -59.336781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.336781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.336781 (E_RNA) where: Base-Base interactions energy: -22.887 where: short stacking energy: -18.987 Base-Backbone interact. energy: -0.004 local terms energy: -36.446300 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -50.744187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.744187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.744187 (E_RNA) where: Base-Base interactions energy: -20.505 where: short stacking energy: -20.505 Base-Backbone interact. energy: -0.138 local terms energy: -30.100693 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -45.490555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.490555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.490555 (E_RNA) where: Base-Base interactions energy: -18.769 where: short stacking energy: -18.769 Base-Backbone interact. energy: -0.013 local terms energy: -26.708441 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -2.584 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: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -53.353878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.353878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.353878 (E_RNA) where: Base-Base interactions energy: -21.673 where: short stacking energy: -20.257 Base-Backbone interact. energy: -0.076 local terms energy: -31.604233 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -5.547 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: 8, replica: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -41.291075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.291075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.291075 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.004 local terms energy: -29.343797 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.829 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: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -41.592392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.592392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.592392 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -15.719 Base-Backbone interact. energy: -0.098 local terms energy: -25.546757 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -1.828 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -38.747436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.747436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.747436 (E_RNA) where: Base-Base interactions energy: -11.641 where: short stacking energy: -11.095 Base-Backbone interact. energy: -0.178 local terms energy: -26.928810 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -4.652 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: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -57.543449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.543449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.543449 (E_RNA) where: Base-Base interactions energy: -22.862 where: short stacking energy: -18.380 Base-Backbone interact. energy: -0.018 local terms energy: -34.663650 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -9.554 flat angles P-C4'-P energy: -6.212 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: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -69.239156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.239156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.239156 (E_RNA) where: Base-Base interactions energy: -31.210 where: short stacking energy: -28.263 Base-Backbone interact. energy: -0.079 local terms energy: -37.949512 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -7.574 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: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -61.952000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.952000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.952000 (E_RNA) where: Base-Base interactions energy: -28.459 where: short stacking energy: -28.459 Base-Backbone interact. energy: -0.010 local terms energy: -33.483348 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -49.175864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.175864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.175864 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -20.284 Base-Backbone interact. energy: -0.100 local terms energy: -28.790983 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -62.101992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.101992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.101992 (E_RNA) where: Base-Base interactions energy: -24.853 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.004 local terms energy: -37.244637 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -44.876173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.876173 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.107 local terms energy: -30.597609 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -52.509140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.509140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.509140 (E_RNA) where: Base-Base interactions energy: -23.343 where: short stacking energy: -18.402 Base-Backbone interact. energy: -0.035 local terms energy: -29.131259 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -47.163377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.163377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.163377 (E_RNA) where: Base-Base interactions energy: -13.830 where: short stacking energy: -13.830 Base-Backbone interact. energy: -0.011 local terms energy: -33.323213 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -43.989452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.989452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.989452 (E_RNA) where: Base-Base interactions energy: -13.451 where: short stacking energy: -13.451 Base-Backbone interact. energy: -0.000 local terms energy: -30.538440 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -44.590080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.590080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.590080 (E_RNA) where: Base-Base interactions energy: -16.473 where: short stacking energy: -16.473 Base-Backbone interact. energy: 1.126 local terms energy: -29.242939 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -67.700566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.700566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.700566 (E_RNA) where: Base-Base interactions energy: -32.134 where: short stacking energy: -32.134 Base-Backbone interact. energy: -0.000 local terms energy: -35.566610 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -8.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -52.807745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.807745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.807745 (E_RNA) where: Base-Base interactions energy: -23.917 where: short stacking energy: -21.416 Base-Backbone interact. energy: -0.000 local terms energy: -28.890240 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -63.723525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.723525 (E_RNA) where: Base-Base interactions energy: -33.227 where: short stacking energy: -26.178 Base-Backbone interact. energy: -0.001 local terms energy: -30.496236 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -65.503351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.503351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.503351 (E_RNA) where: Base-Base interactions energy: -28.833 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.001 local terms energy: -36.669511 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -60.567565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.567565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.567565 (E_RNA) where: Base-Base interactions energy: -23.312 where: short stacking energy: -23.312 Base-Backbone interact. energy: -0.001 local terms energy: -37.254985 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -58.303346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.303346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.303346 (E_RNA) where: Base-Base interactions energy: -22.424 where: short stacking energy: -21.652 Base-Backbone interact. energy: -1.947 local terms energy: -33.933083 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -45.327588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.327588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.327588 (E_RNA) where: Base-Base interactions energy: -20.361 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.244 local terms energy: -24.722461 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -47.439007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.439007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.439007 (E_RNA) where: Base-Base interactions energy: -17.634 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.092 local terms energy: -29.713028 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -2.714 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: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -45.121169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.121169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.121169 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.025 local terms energy: -30.755915 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -46.842156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.842156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.842156 (E_RNA) where: Base-Base interactions energy: -19.491 where: short stacking energy: -19.491 Base-Backbone interact. energy: -0.224 local terms energy: -27.127330 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -1.210 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) out arg RESULTS//1/BYH-7a0d6c10_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -58.992562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.992562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.992562 (E_RNA) where: Base-Base interactions energy: -26.636 where: short stacking energy: -23.487 Base-Backbone interact. energy: -0.000 local terms energy: -32.356069 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -62.977496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.977496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.977496 (E_RNA) where: Base-Base interactions energy: -30.459 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.006 local terms energy: -32.512309 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -60.506115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.506115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.506115 (E_RNA) where: Base-Base interactions energy: -27.200 where: short stacking energy: -27.200 Base-Backbone interact. energy: -0.002 local terms energy: -33.303456 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -7.390 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: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -52.220062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.220062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.220062 (E_RNA) where: Base-Base interactions energy: -20.527 where: short stacking energy: -20.527 Base-Backbone interact. energy: -0.002 local terms energy: -31.690593 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -6.521 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: 5, replica: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -49.691082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.691082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.691082 (E_RNA) where: Base-Base interactions energy: -22.510 where: short stacking energy: -18.657 Base-Backbone interact. energy: -0.006 local terms energy: -27.175333 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -47.793656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.793656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.793656 (E_RNA) where: Base-Base interactions energy: -15.365 where: short stacking energy: -12.924 Base-Backbone interact. energy: -0.056 local terms energy: -32.372459 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.205 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: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -47.849471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.849471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.849471 (E_RNA) where: Base-Base interactions energy: -19.254 where: short stacking energy: -18.138 Base-Backbone interact. energy: -0.010 local terms energy: -28.585661 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -35.569613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.569613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.569613 (E_RNA) where: Base-Base interactions energy: -6.774 where: short stacking energy: -6.774 Base-Backbone interact. energy: 0.153 local terms energy: -28.948010 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -48.047906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.047906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.047906 (E_RNA) where: Base-Base interactions energy: -15.897 where: short stacking energy: -15.897 Base-Backbone interact. energy: -0.043 local terms energy: -32.107475 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -2.413 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: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -37.588655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.588655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.588655 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: -5.024 Base-Backbone interact. energy: -0.022 local terms energy: -32.541876 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -6.072 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -58.445274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.445274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.445274 (E_RNA) where: Base-Base interactions energy: -24.385 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.015 local terms energy: -34.045033 where: bonds (distance) C4'-P energy: -7.343 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -76.071151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.071151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.071151 (E_RNA) where: Base-Base interactions energy: -44.422 where: short stacking energy: -27.326 Base-Backbone interact. energy: -0.002 local terms energy: -31.646233 where: bonds (distance) C4'-P energy: -7.332 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -66.285626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.285626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.285626 (E_RNA) where: Base-Base interactions energy: -28.431 where: short stacking energy: -27.583 Base-Backbone interact. energy: -0.000 local terms energy: -37.853945 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -53.207850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.207850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.207850 (E_RNA) where: Base-Base interactions energy: -20.641 where: short stacking energy: -20.558 Base-Backbone interact. energy: -0.005 local terms energy: -32.561519 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -55.592358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.592358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.592358 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.066 local terms energy: -36.536403 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -49.578614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.578614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.578614 (E_RNA) where: Base-Base interactions energy: -18.933 where: short stacking energy: -18.933 Base-Backbone interact. energy: -0.079 local terms energy: -30.566483 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -6.277 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: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -43.912750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.912750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.912750 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.170 local terms energy: -30.759096 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -46.411568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.411568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.411568 (E_RNA) where: Base-Base interactions energy: -18.902 where: short stacking energy: -18.368 Base-Backbone interact. energy: -0.000 local terms energy: -27.509677 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -44.702660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.702660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.702660 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.043 local terms energy: -26.584340 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -2.003 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -43.161224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.161224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.161224 (E_RNA) where: Base-Base interactions energy: -17.380 where: short stacking energy: -15.553 Base-Backbone interact. energy: -0.079 local terms energy: -25.702486 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -67.389555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.389555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.389555 (E_RNA) where: Base-Base interactions energy: -30.793 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.002 local terms energy: -36.594803 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.731 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -72.431962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.431962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.431962 (E_RNA) where: Base-Base interactions energy: -34.426 where: short stacking energy: -28.451 Base-Backbone interact. energy: -0.000 local terms energy: -38.005537 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -60.561861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.561861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.561861 (E_RNA) where: Base-Base interactions energy: -24.208 where: short stacking energy: -24.208 Base-Backbone interact. energy: -0.096 local terms energy: -36.258321 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -50.436124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.436124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.436124 (E_RNA) where: Base-Base interactions energy: -21.691 where: short stacking energy: -17.817 Base-Backbone interact. energy: -0.001 local terms energy: -28.744384 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -2.677 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: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -54.731265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.731265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.731265 (E_RNA) where: Base-Base interactions energy: -21.213 where: short stacking energy: -21.213 Base-Backbone interact. energy: -0.005 local terms energy: -33.513375 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -53.847873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.847873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.847873 (E_RNA) where: Base-Base interactions energy: -23.808 where: short stacking energy: -23.808 Base-Backbone interact. energy: -0.001 local terms energy: -30.038293 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -52.253789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.253789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.253789 (E_RNA) where: Base-Base interactions energy: -18.387 where: short stacking energy: -18.387 Base-Backbone interact. energy: -0.054 local terms energy: -33.812680 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -3.792 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: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -44.940475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.940475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.940475 (E_RNA) where: Base-Base interactions energy: -18.829 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.006 local terms energy: -26.105339 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -4.230 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: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -39.758946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.758946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.758946 (E_RNA) where: Base-Base interactions energy: -14.815 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.022 local terms energy: -24.921324 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -42.821910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.821910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.821910 (E_RNA) where: Base-Base interactions energy: -15.528 where: short stacking energy: -15.528 Base-Backbone interact. energy: -0.036 local terms energy: -27.257214 where: bonds (distance) C4'-P energy: -3.639 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -73.311970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.311970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.311970 (E_RNA) where: Base-Base interactions energy: -40.775 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.053 local terms energy: -32.483981 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -6.614 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: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -55.731870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.731870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.731870 (E_RNA) where: Base-Base interactions energy: -23.240 where: short stacking energy: -23.240 Base-Backbone interact. energy: -0.005 local terms energy: -32.486158 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -5.251 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: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -56.760499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.760499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.760499 (E_RNA) where: Base-Base interactions energy: -22.567 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.004 local terms energy: -34.189535 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -55.502943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.502943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.502943 (E_RNA) where: Base-Base interactions energy: -20.756 where: short stacking energy: -20.756 Base-Backbone interact. energy: -0.015 local terms energy: -34.732063 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -4.252 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: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -56.205222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.205222 (E_RNA) where: Base-Base interactions energy: -24.044 where: short stacking energy: -19.647 Base-Backbone interact. energy: -0.002 local terms energy: -32.159631 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -6.312 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: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -55.179813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.179813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.179813 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.048 local terms energy: -34.581692 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -5.653 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: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -47.729188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.729188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.729188 (E_RNA) where: Base-Base interactions energy: -16.814 where: short stacking energy: -16.814 Base-Backbone interact. energy: -0.073 local terms energy: -30.842983 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -4.763 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: 8, replica: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -42.519995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.519995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.519995 (E_RNA) where: Base-Base interactions energy: -14.989 where: short stacking energy: -14.989 Base-Backbone interact. energy: -0.063 local terms energy: -27.467215 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -44.074368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.074368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.074368 (E_RNA) where: Base-Base interactions energy: -12.468 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.431 local terms energy: -31.175465 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -7.557 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: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -35.347212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.347212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.347212 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.083 local terms energy: -22.383708 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -1.064 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -68.005027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.005027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.005027 (E_RNA) where: Base-Base interactions energy: -29.034 where: short stacking energy: -28.056 Base-Backbone interact. energy: -0.000 local terms energy: -38.970921 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -8.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -71.674684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.674684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.674684 (E_RNA) where: Base-Base interactions energy: -36.957 where: short stacking energy: -17.766 Base-Backbone interact. energy: -0.100 local terms energy: -34.617204 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -64.440010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.440010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.440010 (E_RNA) where: Base-Base interactions energy: -32.586 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.081 local terms energy: -31.772585 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -49.737716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.737716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.737716 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -14.835 Base-Backbone interact. energy: -0.177 local terms energy: -27.993086 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -49.329046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.329046 (E_RNA) where: Base-Base interactions energy: -20.438 where: short stacking energy: -20.438 Base-Backbone interact. energy: -0.002 local terms energy: -28.889294 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.175 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: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -51.553877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.553877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.553877 (E_RNA) where: Base-Base interactions energy: -25.448 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.100 local terms energy: -26.005180 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -5.350 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: 7, replica: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -60.200260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.200260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.200260 (E_RNA) where: Base-Base interactions energy: -30.575 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.001 local terms energy: -29.624121 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -3.698 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: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -49.740294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.740294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.740294 (E_RNA) where: Base-Base interactions energy: -19.385 where: short stacking energy: -15.671 Base-Backbone interact. energy: -0.001 local terms energy: -30.355051 where: bonds (distance) C4'-P energy: -5.670 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -39.273648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.273648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.273648 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.004 local terms energy: -29.610521 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -42.634879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.634879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.634879 (E_RNA) where: Base-Base interactions energy: -21.050 where: short stacking energy: -21.050 Base-Backbone interact. energy: -0.000 local terms energy: -21.584547 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: 0.171 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONEDONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -60.449692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.449692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.449692 (E_RNA) where: Base-Base interactions energy: -28.629 where: short stacking energy: -28.629 Base-Backbone interact. energy: -0.002 local terms energy: -31.818453 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -59.869746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.869746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.869746 (E_RNA) where: Base-Base interactions energy: -26.913 where: short stacking energy: -21.987 Base-Backbone interact. energy: -0.086 local terms energy: -32.869866 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -57.080219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.080219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.080219 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -21.460 Base-Backbone interact. energy: -0.124 local terms energy: -32.039330 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -6.245 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: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -60.599073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.599073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.599073 (E_RNA) where: Base-Base interactions energy: -23.250 where: short stacking energy: -23.250 Base-Backbone interact. energy: -0.012 local terms energy: -37.337200 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -47.709462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.709462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.709462 (E_RNA) where: Base-Base interactions energy: -17.373 where: short stacking energy: -17.373 Base-Backbone interact. energy: -0.001 local terms energy: -30.335852 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.313 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: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -46.451809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.451809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.451809 (E_RNA) where: Base-Base interactions energy: -17.437 where: short stacking energy: -17.537 Base-Backbone interact. energy: -0.194 local terms energy: -28.820485 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -6.624 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: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -51.301980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.301980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.301980 (E_RNA) where: Base-Base interactions energy: -19.761 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.002 local terms energy: -31.539305 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.011 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -56.486556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.486556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.486556 (E_RNA) where: Base-Base interactions energy: -20.936 where: short stacking energy: -20.589 Base-Backbone interact. energy: -0.004 local terms energy: -35.546712 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -6.920 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: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -43.883917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.883917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.883917 (E_RNA) where: Base-Base interactions energy: -17.316 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.095 local terms energy: -26.473184 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -1.332 flat angles P-C4'-P energy: -4.892 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: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -49.878829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.878829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.878829 (E_RNA) where: Base-Base interactions energy: -16.122 where: short stacking energy: -13.097 Base-Backbone interact. energy: -1.167 local terms energy: -32.590264 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -56.864984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.864984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.864984 (E_RNA) where: Base-Base interactions energy: -23.735 where: short stacking energy: -23.735 Base-Backbone interact. energy: -0.145 local terms energy: -32.985464 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.616 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -67.188311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.188311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.188311 (E_RNA) where: Base-Base interactions energy: -36.382 where: short stacking energy: -24.435 Base-Backbone interact. energy: -0.048 local terms energy: -30.758835 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -53.722901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.722901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.722901 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.018 local terms energy: -34.068743 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -6.803 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: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -61.388348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.388348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.388348 (E_RNA) where: Base-Base interactions energy: -27.696 where: short stacking energy: -23.760 Base-Backbone interact. energy: -0.375 local terms energy: -33.317428 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -51.189825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.189825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.189825 (E_RNA) where: Base-Base interactions energy: -21.600 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.041 local terms energy: -29.548882 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -0.116 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: 6, replica: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -53.797716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.797716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.797716 (E_RNA) where: Base-Base interactions energy: -19.691 where: short stacking energy: -19.691 Base-Backbone interact. energy: -0.000 local terms energy: -34.106041 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -47.881078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.881078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.881078 (E_RNA) where: Base-Base interactions energy: -20.368 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.028 local terms energy: -27.484703 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -6.090 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: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -46.536563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.536563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.536563 (E_RNA) where: Base-Base interactions energy: -17.460 where: short stacking energy: -16.991 Base-Backbone interact. energy: -0.001 local terms energy: -29.075536 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -6.433 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: 9, replica: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -44.132415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.132415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.132415 (E_RNA) where: Base-Base interactions energy: -18.666 where: short stacking energy: -18.666 Base-Backbone interact. energy: -0.004 local terms energy: -25.462363 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -43.400296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.400296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.400296 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.012 local terms energy: -27.993023 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -0.581 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -59.508577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.508577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.508577 (E_RNA) where: Base-Base interactions energy: -28.995 where: short stacking energy: -12.615 Base-Backbone interact. energy: -0.420 local terms energy: -30.093680 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -62.435562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.435562 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.000 local terms energy: -36.893053 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -72.116033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.116033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.116033 (E_RNA) where: Base-Base interactions energy: -39.583 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.003 local terms energy: -32.529465 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -56.872827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.872827 (E_RNA) where: Base-Base interactions energy: -21.438 where: short stacking energy: -21.438 Base-Backbone interact. energy: -0.005 local terms energy: -35.430516 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -52.022265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.022265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.022265 (E_RNA) where: Base-Base interactions energy: -19.393 where: short stacking energy: -19.393 Base-Backbone interact. energy: -0.027 local terms energy: -32.602299 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -5.980 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: 6, replica: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -53.350779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.350779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.350779 (E_RNA) where: Base-Base interactions energy: -23.088 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.001 local terms energy: -30.261684 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -42.577385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.577385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.577385 (E_RNA) where: Base-Base interactions energy: -12.664 where: short stacking energy: -12.664 Base-Backbone interact. energy: -0.033 local terms energy: -29.879815 where: bonds (distance) C4'-P energy: -6.465 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -42.470688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.470688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.470688 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -18.368 Base-Backbone interact. energy: -0.121 local terms energy: -23.981063 where: bonds (distance) C4'-P energy: -7.132 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.328 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: 9, replica: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -38.242281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.242281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.242281 (E_RNA) where: Base-Base interactions energy: -20.604 where: short stacking energy: -5.756 Base-Backbone interact. energy: -0.238 local terms energy: -17.400371 where: bonds (distance) C4'-P energy: -2.066 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: 3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -43.821625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.821625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.821625 (E_RNA) where: Base-Base interactions energy: -17.480 where: short stacking energy: -12.725 Base-Backbone interact. energy: 0.664 local terms energy: -27.005882 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11852244 moves confirmed later: 14709333 all moves confirmed: 26561577 percent of confirmed moves: 3.320197 current total energy: -34.330996 recalc. total energy: -34.330996 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11870677 moves confirmed later: 14741325 all moves confirmed: 26612002 percent of confirmed moves: 3.326500 current total energy: -22.651141 recalc. total energy: -22.651141 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11902462 moves confirmed later: 14786560 all moves confirmed: 26689022 percent of confirmed moves: 3.336128 current total energy: -27.730853 recalc. total energy: -27.730853 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11797294 moves confirmed later: 14630670 all moves confirmed: 26427964 percent of confirmed moves: 3.303495 current total energy: -27.667795 recalc. total energy: -27.667795 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11787709 moves confirmed later: 14597631 all moves confirmed: 26385340 percent of confirmed moves: 3.298167 current total energy: -40.787888 recalc. total energy: -40.787888 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11594940 moves confirmed later: 14314054 all moves confirmed: 25908994 percent of confirmed moves: 3.238624 current total energy: -18.494402 recalc. total energy: -18.494402 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11688276 moves confirmed later: 14454136 all moves confirmed: 26142412 percent of confirmed moves: 3.267802 current total energy: -26.829848 recalc. total energy: -26.829848 replica 3 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11956294 moves confirmed later: 14879406 all moves confirmed: 26835700 percent of confirmed moves: 3.354462 current total energy: -13.546459 recalc. total energy: -13.546459 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11900999 moves confirmed later: 14768909 all moves confirmed: 26669908 percent of confirmed moves: 3.333738 current total energy: -8.803132 recalc. total energy: -8.803132 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 11889272 moves confirmed later: 14754197 all moves confirmed: 26643469 percent of confirmed moves: 3.330434 current total energy: -13.294763 recalc. total energy: -13.294763 Time of doing 8000000 iterations: 538.969 seconds